
  Mrv1927 02072015302D          

 18 20  0  0  0  0            999 V2000
   -2.9687    1.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9687   -0.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2543    0.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2543    1.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4697    0.1138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    0.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4697    1.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1341    2.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3136    2.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1713    1.6212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643    0.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    3.0423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411    0.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767    1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6260   -0.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-68

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(3,3-Dimethylacryl)pyrano[3,4b]indol-3-one

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC1=C2NC3=CC=CC=C3C2=CC(=O)O1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H13NO2/c1-9(2)7-13-15-11(8-14(17)18-13)10-5-3-4-6-12(10)16-15/h3-8,16H,1-2H3


$$$$

  Mrv1927 02072015302D          

 26 28  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0140    3.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1890    3.0922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0572    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1722    6.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3753    5.8426    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4272    6.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7342    5.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9991    5.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2846    5.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0151    4.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5001    5.5404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2846    4.4604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5001    4.2055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
 23 26  2  0  0  0  0
 24 22  1  0  0  0  0
 22 25  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-69

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-beta,beta-Dimethylacryloyl)-indole-3-acetic acid histamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC(=O)C1=C(CC(=O)NCCC2=CN=CN2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H22N4O2/c1-13(2)9-18(25)20-16(15-5-3-4-6-17(15)24-20)10-19(26)22-8-7-14-11-21-12-23-14/h3-6,9,11-12,24H,7-8,10H2,1-2H3,(H,21,23)(H,22,26)


$$$$

  Mrv1927 02072015302D          

 15 17  0  0  0  0            999 V2000
   -4.1355    2.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9324    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1460    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5626    0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5522    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739    0.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283    1.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2091    2.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986    1.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    2.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-70

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methylpyrano[3,4b]indol-3-one

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=C2NC3=CC=CC=C3C2=CC(=O)O1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H9NO2/c1-7-12-9(6-11(14)15-7)8-4-2-3-5-10(8)13-12/h2-6,13H,1H3



$$$$

  Mrv1927 02072015302D          

 20 23  0  0  0  0            999 V2000
   -4.1355    2.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9324    2.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1460    1.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5626    0.7393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7657    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5522    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0739    0.5036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7283    1.7929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2091    2.4341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3943    2.3050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0986    1.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178    0.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8751    2.9462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    0.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -1.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7309   -1.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2117   -0.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5074   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  8  9  1  0  0  0  0
 11 14  2  0  0  0  0
 11 12  1  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-71

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Phenylpyrano[3,4b]indol-3-one

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1OC(=C2NC3=CC=CC=C3C2=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H11NO2/c19-15-10-13-12-8-4-5-9-14(12)18-16(13)17(20-15)11-6-2-1-3-7-11/h1-10,18H



$$$$

  Mrv1927 02072015302D          

 23 25  0  0  0  0            999 V2000
   -3.8036    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045   -0.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200    0.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    2.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    1.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    3.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107    4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037    4.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    5.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008    5.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    5.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1627    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-72

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Acetyl-indole-3-acetic acid benzyl amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(=O)C1=C(CC(=O)NCC2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H18N2O2/c1-13(22)19-16(15-9-5-6-10-17(15)21-19)11-18(23)20-12-14-7-3-2-4-8-14/h2-10,21H,11-12H2,1H3,(H,20,23)



$$$$

  Mrv1927 02072015302D          

 28 31  0  0  0  0            999 V2000
   -3.8036    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045   -0.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200    0.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    2.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    1.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    3.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107    4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037    4.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    5.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008    5.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    5.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1627    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 11 24  1  0  0  0  0
 11 28  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-73

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Benzoyl-indole-3-acetic acid benzyl amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(CC1=C(NC2=CC=CC=C12)C(=O)C1=CC=CC=C1)NCC1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H20N2O2/c27-22(25-16-17-9-3-1-4-10-17)15-20-19-13-7-8-14-21(19)26-23(20)24(28)18-11-5-2-6-12-18/h1-14,26H,15-16H2,(H,25,27)


$$$$

  Mrv1927 02072015302D          

 13 12  0  0  0  0            999 V2000
   -2.9911    1.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -0.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372    1.9702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657    2.7771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3189    3.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4905    3.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226    4.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2751    4.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0788    3.3292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  2  0  0  0  0
  7 13  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-74

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,3-Dimethylacrylic anhydride

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC(=O)OC(=O)C=C(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C10H14O3/c1-7(2)5-9(11)13-10(12)6-8(3)4/h5-6H,1-4H3



$$$$

  Mrv1927 02072015302D          

  7  6  0  0  0  0            999 V2000
   -2.9911    1.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780    0.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5495   -0.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5934    0.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4218    1.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6372    1.9702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0349    2.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-75

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,3-Dimethylacryloyl chloride

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC(Cl)=O

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C5H7ClO/c1-4(2)3-5(6)7/h3H,1-2H3



$$$$

  Mrv1927 02072015302D          

 26 28  0  0  0  0            999 V2000
   -3.8036    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0891    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045   -0.6675    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045    0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9946    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5821   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6200    0.7350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0495    1.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6015    2.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3465    2.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4085    1.8936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    3.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6107    4.2755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8037    4.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5488    5.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1008    5.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    5.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1627    4.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 11 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-76

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid benzyl amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC(=O)C1=C(CC(=O)NCC2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H22N2O2/c1-15(2)12-20(25)22-18(17-10-6-7-11-19(17)24-22)13-21(26)23-14-16-8-4-3-5-9-16/h3-12,24H,13-14H2,1-2H3,(H,23,26)



$$$$

  Mrv1927 02072015302D          

 23 25  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9980    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4146    5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7892    5.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2058    4.5067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4707    4.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5998    5.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-77

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Acetyl-indole-3-acetic acid histamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(=O)C1=C(CC(=O)NCCC2=CN=CN2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H18N4O2/c1-11(22)17-14(13-4-2-3-5-15(13)21-17)8-16(23)19-7-6-12-9-18-10-20-12/h2-5,9-10,21H,6-8H2,1H3,(H,18,20)(H,19,23)



$$$$

  Mrv1927 02072015302D          

 46 52  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    4.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    3.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    4.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    2.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526    3.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526    3.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    4.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    5.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    5.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    6.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382    6.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    6.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    5.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236    3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909    2.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1054    3.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3908    4.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
  1 10  1  0  0  0  0
 16 11  2  0  0  0  0
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 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
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 13  9  1  0  0  0  0
  9 17  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
  9 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
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 23 28  1  0  0  0  0
 34 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 33  1  0  0  0  0
 31 10  1  0  0  0  0
 10 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 40  1  0  0  0  0
 10 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
M  STY  2   1 SUP   2 SUP
M  SAL   1 15   9  11  12  13  14  15  16  17  18  19  20  21  22  23  24
M  SAL   1  4  25  26  27  28
M  SBL   1  1   9
M  SMT   1 Trityl
M  SAP   1  1   9   8  1
M  SAL   2 15  10  29  30  31  32  33  34  35  36  37  38  39  40  41  42
M  SAL   2  4  43  44  45  46
M  SBL   2  1  10
M  SMT   2 Trityl
M  SAP   2  1  10   1  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-78

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N(^alpha),N(^tau)-Ditritylhistamine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C(CC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C43H37N3/c1-7-19-35(20-8-1)42(36-21-9-2-10-22-36,37-23-11-3-12-24-37)45-32-31-41-33-46(34-44-41)43(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40/h1-30,33-34,45H,31-32H2



$$$$

  Mrv1927 02072015302D          

 27 30  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    4.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    3.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    4.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    2.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526    3.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7526    3.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4671    4.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    3.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    5.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    5.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3238    6.4155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382    6.8279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    6.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7527    5.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3237    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236    3.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909    2.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1054    3.1155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1053    3.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3908    4.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  4  7  2  0  0  0  0
  1  9  1  0  0  0  0
 15 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 12  9  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15   9  10  11  12  13  14  15  16  17  18  19  20  21  22  23
M  SAL   1  4  24  25  26  27
M  SBL   1  1   9
M  SMT   1 Trityl
M  SAP   1  1   9   1  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-79

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N(^alpha)-tritylhistamine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C(CC1=CNC=N1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H23N3/c1-4-10-20(11-5-1)24(21-12-6-2-7-13-21,22-14-8-3-9-15-22)27-17-16-23-18-25-19-26-23/h1-15,18-19,27H,16-17H2,(H,25,26)



$$$$

  Mrv1927 02072015302D          

 27 30  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    4.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    3.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1886    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4742    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    1.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177   -0.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    0.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030    1.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3320    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610    2.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0465    2.3838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  1  0  0  0  0
  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
 15 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 12  9  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15   9  10  11  12  13  14  15  16  17  18  19  20  21  22  23
M  SAL   1  4  24  25  26  27
M  SBL   1  1   9
M  SMT   1 Trityl
M  SAP   1  1   9   8  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-80

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N(^tau)-tritylhistamine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
NCCC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H23N3/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17,25H2



$$$$

  Mrv1927 02072015302D          

 14 15  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    4.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    3.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    5.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    5.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4632    5.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824    4.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4013    6.0386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    3.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  7  8  1  0  0  0  0
  5  8  2  0  0  0  0
  6  4  1  0  0  0  0
  4  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1  9  1  0  0  0  0
  1 12  1  0  0  0  0
  9 13  2  0  0  0  0
  6  5  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-81

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Histamine succinimide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1CCC(=O)N1CCC1=CN=CN1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H11N3O2/c13-8-1-2-9(14)12(8)4-3-7-5-10-6-11-7/h5-6H,1-4H2,(H,10,11)



$$$$

  Mrv1927 02072015302D          

 33 37  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7775    4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    3.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5477    4.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8207    3.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6176    3.2088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  5  8  1  0  0  0  0
  6  4  1  0  0  0  0
  4  7  2  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
 21 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 21 20  1  0  0  0  0
 18  9  1  0  0  0  0
  9 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
  9 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 28 33  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15   9  16  17  18  19  20  21  22  23  24  25  26  27  28  29
M  SAL   1  4  30  31  32  33
M  SBL   1  1   9
M  SMT   1 Trityl
M  SAP   1  1   9   8  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-82

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N(^tau)-trityl histamine succinimide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1CCC(=O)N1CCC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C28H25N3O2/c32-26-16-17-27(33)31(26)19-18-25-20-30(21-29-25)28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21H,16-19H2



$$$$

  Mrv1927 02072015302D          

 18 20  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1364    4.7654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-83

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Histamine phthalimide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1N(CCC2=CN=CN2)C(=O)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H11N3O2/c17-12-10-3-1-2-4-11(10)13(18)16(12)6-5-9-7-14-8-15-9/h1-4,7-8H,5-6H2,(H,14,15)



$$$$

  Mrv1927 02072015302D          

 37 42  0  0  0  0            999 V2000
    1.7526    4.7654    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5477    4.5419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 12 14  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 10 11  2  0  0  0  0
  8 19  1  0  0  0  0
 25 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 25 24  1  0  0  0  0
 22 19  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15  19  20  21  22  23  24  25  26  27  28  29  30  31  32  33
M  SAL   1  4  34  35  36  37
M  SBL   1  1  21
M  SMT   1 Trityl
M  SAP   1  1  19   8  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-84

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N(^tau)-trityl histamine phthalimide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1N(CCC2=CN(C=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)C2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C32H25N3O2/c36-30-28-18-10-11-19-29(28)31(37)35(30)21-20-27-22-34(23-33-27)32(24-12-4-1-5-13-24,25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-19,22-23H,20-21H2



$$$$

  Mrv1927 02072015302D          

 45 50  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
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  5  7  1  0  0  0  0
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  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 12 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 22  1  0  0  0  0
 33 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 33 32  1  0  0  0  0
 30 27  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 27 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 40 45  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15  27  28  29  30  31  32  33  34  35  36  37  38  39  40  41
M  SAL   1  4  42  43  44  45
M  SBL   1  1  28
M  SMT   1 Trityl
M  SAP   1  1  27  21  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-85

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^tau)-tritylhistamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC(=O)C1=C(CC(=O)NCCC2=CN(C=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C39H36N4O2/c1-28(2)24-36(44)38-34(33-20-12-13-21-35(33)42-38)25-37(45)40-23-22-32-26-43(27-41-32)39(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-21,24,26-27,42H,22-23,25H2,1-2H3,(H,40,45)



$$$$

  Mrv1927 02072015302D          

 26 29  0  0  1  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9980    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4146    5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4578    5.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6876    4.7056    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1684    5.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6177    6.0386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0140    4.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9708    5.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5291    3.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 21  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-86

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1(C)CC(=O)C2=C(CC(=O)NCCC3=CN1C=N3)C1=CC=CC=C1N2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H22N4O2/c1-20(2)10-17(25)19-15(14-5-3-4-6-16(14)23-19)9-18(26)21-8-7-13-11-24(20)12-22-13/h3-6,11-12,23H,7-10H2,1-2H3,(H,21,26)



$$$$

  Mrv1927 02072015302D          

 23 25  0  0  1  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9980    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7467    3.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9154    5.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7605    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3480    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7605    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 16 19  1  0  0  0  0
 16 23  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-87

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(Ethan-1-ol)-indole-3-acetic acid benzylamide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(O)C1=C(CC(=O)NCC2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H20N2O2/c1-13(22)19-16(15-9-5-6-10-17(15)21-19)11-18(23)20-12-14-7-3-2-4-8-14/h2-10,13,21-22H,11-12H2,1H3,(H,20,23)



$$$$

  Mrv1927 02072015302D          

 28 31  0  0  1  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.9980    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7467    3.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9154    5.1998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    5.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.7605    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5855    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2987    2.9816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0438    2.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2368    2.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6848    2.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9397    3.4231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
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  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
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 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 16 19  1  0  0  0  0
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 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 17 24  1  0  0  0  0
 17 28  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-88

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(1-Phenyl-menthan-1-ol)-indole-3-acetic acid benzylamide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
OC(C1=C(CC(=O)NCC2=CC=CC=C2)C2=CC=CC=C2N1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H22N2O2/c27-22(25-16-17-9-3-1-4-10-17)15-20-19-13-7-8-14-21(19)26-23(20)24(28)18-11-5-2-6-12-18/h1-14,24,26,28H,15-16H2,(H,25,27)



$$$$

  Mrv1927 02072015302D          

 27 29  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.6618    5.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4902    6.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0736    7.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6652    6.4734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.6411    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4230    4.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6025    4.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-89

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-Methoxy-3-methyl-1-butene)-3-acetic acid benzyl amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(C)(C)\C=C\C1=C(CC(=O)NCC2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C23H26N2O2/c1-23(2,27-3)14-13-21-19(18-11-7-8-12-20(18)25-21)15-22(26)24-16-17-9-5-4-6-10-17/h4-14,25H,15-16H2,1-3H3,(H,24,26)/b14-13+



$$$$

  Mrv1927 02072015302D          

 26 28  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6618    5.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4902    6.4734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0736    7.0567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6652    6.4734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9733    6.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3059    6.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5522    6.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8848    6.6584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9710    7.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7247    7.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3921    7.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9154    3.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0904    3.5588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5397    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6411    2.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4230    4.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
  8 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-90

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-Methyl-1-butene-3-ol)-3-acetic acid benzyl amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)(O)\C=C\C1=C(CC(=O)NCC2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H24N2O2/c1-22(2,26)13-12-20-18(17-10-6-7-11-19(17)24-20)14-21(25)23-15-16-8-4-3-5-9-16/h3-13,24,26H,14-15H2,1-2H3,(H,23,25)/b13-12+



$$$$

  Mrv1927 02072015302D          

 27 29  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9980    6.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4146    5.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7892    5.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2058    4.5067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4707    4.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5998    5.6960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8302    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0456    3.6856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1658    2.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3453    2.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3311    3.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 20 21  2  0  0  0  0
 12 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-91

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-Methoxy-3-methyl-1-butene)-indole-3-acetic acid histamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(C)(C)\C=C\C1=C(CC(=O)NCCC2=CN=CN2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C21H26N4O2/c1-21(2,27-3)10-8-19-17(16-6-4-5-7-18(16)25-19)12-20(26)23-11-9-15-13-22-14-24-15/h4-8,10,13-14,25H,9,11-12H2,1-3H3,(H,22,24)(H,23,26)/b10-8+



$$$$

  Mrv1927 02072015302D          

 46 51  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8302    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0456    3.6856    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1658    2.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3453    2.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3311    3.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1085    5.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3734    5.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3734    4.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5888    4.3967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1039    5.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5888    5.7315    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1395    3.7048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2365    4.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4126    4.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9633    3.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3378    2.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1617    2.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6111    3.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6901    3.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8663    3.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4169    2.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7915    1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6154    1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0647    2.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7649    4.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2142    5.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8396    5.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0159    5.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5665    5.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9411    4.4831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 25 28  1  0  0  0  0
 34 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 34 33  1  0  0  0  0
 31 28  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 40  1  0  0  0  0
 28 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
M  SAL   1  4  43  44  45  46
M  SBL   1  1  30
M  SMT   1 Trityl
M  SAP   1  1  28  25  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-92

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-Methoxy-3-methyl-1-butene)-indole-3-acetic acid N(^tau)-tritylhistamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(C)(C)\C=C\C1=C(CC(=O)NCCC2=CN(C=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C40H40N4O2/c1-39(2,46-3)25-23-37-35(34-21-13-14-22-36(34)43-37)27-38(45)41-26-24-33-28-44(29-42-33)40(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h4-23,25,28-29,43H,24,26-27H2,1-3H3,(H,41,45)/b25-23+



$$$$

  Mrv1927 02072015302D          

 47 51  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9597    3.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0028    2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1358    3.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1556    5.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4019    5.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3587    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.2172    1.2686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8082    4.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8943    5.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2267    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4731    5.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3871    4.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0545    3.8793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2293    4.0656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8967    3.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6504    3.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7366    4.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0689    5.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3154    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  2  1  1  0  0  0  0
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  8 11  1  0  0  0  0
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 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 24 27  1  0  0  0  0
 26 28  1  0  0  0  0
 35 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 35 34  1  0  0  0  0
 32 27  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
 27 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 42 47  1  0  0  0  0
M  CHG  2  24   1  29  -1
M  STY  1   1 SUP
M  SAL   1 15  27  30  31  32  33  34  35  36  37  38  39  40  41  42  43
M  SAL   1  4  44  45  46  47
M  SBL   1  1  29
M  SMT   1 Trityl
M  SAP   1  1  27  24  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-93

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^tau)-tritylhistamine amide-N(^pi)-methyl iodide salt

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[I-].CN1C=[N+](C=C1CCNC(=O)CC1=C(NC2=CC=CC=C12)C(=O)C=C(C)C)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C40H38N4O2.HI/c1-29(2)25-37(45)39-35(34-21-13-14-22-36(34)42-39)26-38(46)41-24-23-33-27-44(28-43(33)3)40(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32;/h4-22,25,27-28H,23-24,26H2,1-3H3,(H-,41,42,45,46);1H



$$$$

  Mrv1927 02072015302D          

 27 29  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9597    3.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0028    2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1358    3.2025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1556    5.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4019    5.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3587    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5618    4.5506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125    5.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6317    5.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5885    6.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 12 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-94

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^pi)-methylhistamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CN1C=NC=C1CCNC(=O)CC1=C(NC2=CC=CC=C12)C(=O)C=C(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C21H24N4O2/c1-14(2)10-19(26)21-17(16-6-4-5-7-18(16)24-21)11-20(27)23-9-8-15-12-22-13-25(15)3/h4-7,10,12-13,24H,8-9,11H2,1-3H3,(H,23,27)



$$$$

  Mrv1927 02072015302D          

 26 28  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1556    5.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4019    5.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3587    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5618    4.5506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125    5.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6317    5.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5885    6.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6661    3.6256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8456    3.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2936    4.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8888    2.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-95

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-Methyl-butadiene)-3-indole-acetic acid N(^pi)-methylhistamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CN1C=NC=C1CCNC(=O)CC1=C(NC2=CC=CC=C12)\C=C\C(C)=C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C21H24N4O/c1-15(2)8-9-20-18(17-6-4-5-7-19(17)24-20)12-21(26)23-11-10-16-13-22-14-25(16)3/h4-9,13-14,24H,1,10-12H2,2-3H3,(H,23,26)/b9-8+



$$$$

  Mrv1927 02072015302D          

 28 30  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2441    6.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4904    5.9236    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4991    7.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9597    3.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0028    2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1358    3.2025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8230    5.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1556    5.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4019    5.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3587    4.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5618    4.5506    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1125    5.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6317    5.8836    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5885    6.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7133    2.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3288    3.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 16 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-96

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(3-Methoxy-3-methyl-butane)-3-indole-acetic acid N(^pi)-methylhistamine amide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(C)(C)CCC1=C(CC(=O)NCCC2=CN=CN2C)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H30N4O2/c1-22(2,28-4)11-9-20-18(17-7-5-6-8-19(17)25-20)13-21(27)24-12-10-16-14-23-15-26(16)3/h5-8,14-15,25H,9-13H2,1-4H3,(H,24,27)



$$$$

  Mrv1927 02072015302D          

 19 20  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9597    3.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0028    2.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.1391    6.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3584    6.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
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  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-97

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C)=CC(=O)C1=C(CC(O)=O)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H15NO3/c1-9(2)7-13(17)15-11(8-14(18)19)10-5-3-4-6-12(10)16-15/h3-7,16H,8H2,1-2H3,(H,18,19)



$$$$

  Mrv1927 02072015302D          

 16 17  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1823    6.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1391    6.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3584    6.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-98

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Acetyl-indole-3-acetic acid

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(=O)C1=C(CC(O)=O)C2=CC=CC=C2N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H11NO3/c1-7(14)12-9(6-11(15)16)8-4-2-3-5-10(8)13-12/h2-5,13H,6H2,1H3,(H,15,16)



$$$$

  Mrv1927 02072015302D          

 20 21  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0017    4.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6271    3.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5523    5.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9597    3.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.1823    6.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1391    6.9220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3584    6.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5346    6.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  5  2  0  0  0  0
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  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
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 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-99

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(beta,beta-Dimethylacryloyl)indole-3-acetic acid methyl ester

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)CC1=C(NC2=CC=CC=C12)C(=O)C=C(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H17NO3/c1-10(2)8-14(18)16-12(9-15(19)20-3)11-6-4-5-7-13(11)17-16/h4-8,17H,9H2,1-3H3



$$$$

  Mrv1927 02072015302D          

 21 22  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8255    4.4225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2748    5.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9792    5.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -12.1823    6.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.3584    6.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.3656    4.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.3539    2.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
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  9 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 10 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 12 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-100

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-Methoxy-3-methyl-1-butene)-indole-3-acetic acid methyl ester

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)CC1=C(NC2=CC=CC=C12)\C=C\C(C)(C)OC

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H21NO3/c1-17(2,21-4)10-9-15-13(11-16(19)20-3)12-7-5-6-8-14(12)18-15/h5-10,18H,11H2,1-4H3/b10-9+



$$$$

  Mrv1927 02072015302D          

 33 36  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4987    4.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5419    4.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8500    3.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1149    4.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0717    4.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3447    3.7813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  -11.3584    6.0549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5346    6.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8032    3.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-101

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(E)-(3-N(^tau)-histaminesuccinimide-3-methyl-1-butene)-indole-3-acetic acid methyl ester

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)CC1=C(NC2=CC=CC=C12)\C=C\C(C)(C)N1C=NC(CCN2C(=O)CCC2=O)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C25H28N4O4/c1-25(2,28-15-17(26-16-28)11-13-29-22(30)8-9-23(29)31)12-10-21-19(14-24(32)33-3)18-6-4-5-7-20(18)27-21/h4-7,10,12,15-16,27H,8-9,11,13-14H2,1-3H3/b12-10+



$$$$

  Mrv1927 02072015302D          

 34 37  0  0  0  0            999 V2000
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-102

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(3-N(^tau)-histaminesuccinimide-3-methyl-1-butanone)-indole acetic acid methyl ester

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)CC1=C(NC2=CC=CC=C12)C(=O)CC(C)(C)N1C=NC(CCN2C(=O)CCC2=O)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C25H28N4O5/c1-25(2,28-14-16(26-15-28)10-11-29-21(31)8-9-22(29)32)13-20(30)24-18(12-23(33)34-3)17-6-4-5-7-19(17)27-24/h4-7,14-15,27H,8-13H2,1-3H3



$$$$

  Mrv1927 02072015302D          

 27 28  0  0  0  0            999 V2000
  -14.7636    5.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-103

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-(tert-Butoxycarbonyl)-2-(beta,beta-Dimethylacryloyl)indole-3-acetic acid methyl ester

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)CC1=C(N(C(=O)OC(C)(C)C)C2=CC=CC=C12)C(=O)C=C(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C21H25NO5/c1-13(2)11-17(23)19-15(12-18(24)26-6)14-9-7-8-10-16(14)22(19)20(25)27-21(3,4)5/h7-11H,12H2,1-6H3



$$$$

  Mrv1927 02072015302D          

 16 17  0  0  0  0            999 V2000
   -1.0689   -1.6853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14 16  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-104

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,5-Dibromohistamine succinimide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=NC(Br)=C(CCN2C(=O)CCC2=O)N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H9Br2N3O2/c10-8-5(12-9(11)13-8)3-4-14-6(15)1-2-7(14)16/h1-4H2,(H,12,13)



$$$$

  Mrv1927 02072015302D          

 15 16  0  0  0  0            999 V2000
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 12 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 13 15  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-105

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Iodohistamine succinimide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
IC1=C(CCN2C(=O)CCC2=O)NC=N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H10IN3O2/c10-9-6(11-5-12-9)3-4-13-7(14)1-2-8(13)15/h5H,1-4H2,(H,11,12)



$$$$

  Mrv1927 02072015302D          

 25 28  0  0  0  0            999 V2000
   -0.4063    0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255    1.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957    0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -0.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444   -0.2838    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111    3.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255    2.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6401    3.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    4.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254    4.5850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    1.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6400    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0689    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0689    1.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111    1.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    1.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5034    0.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2111    0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  4  6  1  0  0  0  0
  2  7  1  0  0  0  0
 13  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  0  0  0  0
 10  7  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 20 25  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15   7   8   9  10  11  12  13  14  15  16  17  18  19  20  21
M  SAL   1  4  22  23  24  25
M  SBL   1  1   7
M  SMT   1 Trityl
M  SAP   1  1   7   2  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-106

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Iodo-1-tritylimidazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
IC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H17IN2/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H



$$$$

  Mrv1927 02072015302D          

  8  8  0  0  0  0            999 V2000
   -0.4063    0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255    1.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957    0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -0.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444   -0.2838    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3631    1.4743    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.4187    0.6439    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  4  6  1  0  0  0  0
  3  7  1  0  0  0  0
  1  8  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-107

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,4,5-Triiodoimidazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
IC1=NC(I)=C(I)N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)



$$$$

  Mrv1927 02072015302D          

  6  6  0  0  0  0            999 V2000
   -0.4063    0.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9255    1.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957    0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6525    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557   -0.0480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3444   -0.2838    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  2  0  0  0  0
  4  6  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-108

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Iodoimidazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
IC1=CNC=N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C3H3IN2/c4-3-1-5-2-6-3/h1-2H,(H,5,6)



$$$$

  Mrv1927 02072015302D          

 21 24  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122    2.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    1.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2148    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -0.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    2.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    2.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-109

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Didemnimide A

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1NC(=O)C(C2=CNC3=CC=CC=C23)=C1C1=CN=CN1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H10N4O2/c20-14-12(9-5-17-10-4-2-1-3-8(9)10)13(15(21)19-14)11-6-16-7-18-11/h1-7,17H,(H,16,18)(H,19,20,21)



$$$$

  Mrv1927 02072015302D          

 22 25  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122    2.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    1.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2148    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -0.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    2.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    2.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0753   -0.7838    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
  3 22  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-110

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Didemnimide B

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=C2C(NC=C2C2=C(C(=O)NC2=O)C2=CN=CN2)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H9BrN4O2/c16-7-1-2-8-9(4-18-10(8)3-7)12-13(11-5-17-6-19-11)15(22)20-14(12)21/h1-6,18H,(H,17,19)(H,20,21,22)


$$$$

  Mrv1927 02072015302D          

 22 25  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122    2.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    1.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2148    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -0.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    2.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    2.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
 19 22  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-111

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Didemnimide C

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CN1C=NC=C1C1=C(C(=O)NC1=O)C1=CNC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H12N4O2/c1-20-8-17-7-12(20)14-13(15(21)19-16(14)22)10-6-18-11-5-3-2-4-9(10)11/h2-8,18H,1H3,(H,19,21,22)



$$$$

  Mrv1927 02072015302D          

 23 26  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997    1.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    1.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1122    2.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7796    1.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2148    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2147   -0.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -0.5323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0548    0.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5699    0.8025    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903    2.3742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4715    2.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0753   -0.7838    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.3049    1.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 12 20  2  0  0  0  0
 14 21  2  0  0  0  0
  3 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-112

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Didemnimide D

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CN1C=NC=C1C1=C(C(=O)NC1=O)C1=CNC2=CC(Br)=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H11BrN4O2/c1-21-7-18-6-12(21)14-13(15(22)20-16(14)23)10-5-19-11-4-8(17)2-3-9(10)11/h2-7,19H,1H3,(H,20,22,23)



$$$$

  Mrv1927 02072015302D          

 15 16  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896    0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751    1.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7464    0.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679    2.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-113

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl indoyl-3-glyoxylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)C(=O)C1=CNC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H9NO3/c1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9/h2-6,12H,1H3



$$$$

  Mrv1927 02072015302D          

 16 17  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6071   -0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -0.7032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7896    0.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751    1.2530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7464    0.0166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679    2.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7218    1.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0567   -0.8228    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 10 14  2  0  0  0  0
 12 15  1  0  0  0  0
  3 16  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-114

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Methyl 6-bromoindolyl-3-glyoxylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC(=O)C(=O)C1=CNC2=CC(Br)=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H8BrNO3/c1-16-11(15)10(14)8-5-13-9-4-6(12)2-3-7(8)9/h2-5,13H,1H3



$$$$

  Mrv1927 02072015302D          

 28 31  0  0  0  0            999 V2000
   -0.2268    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963    1.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4963    0.5875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7117    0.3326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375    1.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    1.6360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6427    2.0106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8214    0.8156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6686   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2743   -2.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3175   -1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6254   -1.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1095   -1.6897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1527   -2.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5392   -2.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0234   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0196    0.7819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6723    1.2310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4074    0.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    0.0326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7584   -0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4036   -0.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0955   -0.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8306   -0.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8736    0.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1817    1.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466    0.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  1  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  5 10  1  0  0  0  0
 16 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  0  0  0  0
 13 10  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15  10  11  12  13  14  15  16  17  18  19  20  21  22  23  24
M  SAL   1  4  25  26  27  28
M  SBL   1  1  10
M  SMT   1 Trityl
M  SAP   1  1  10   5  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-115

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Tritylimidazole-4-acetamide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
NC(=O)CC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H21N3O/c25-23(28)16-22-17-27(18-26-22)24(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2,(H2,25,28)



$$$$

  Mrv1927 02072015302D          

 40 46  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6232   -0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5247    1.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1122    2.4846    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4715    2.4490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9003    0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 25 22  1  0  0  0  0
 22 29  1  0  0  0  0
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 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 35 40  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15  22  23  24  25  26  27  28  29  30  31  32  33  34  35  36
M  SAL   1  4  37  38  39  40
M  SBL   1  1  25
M  SMT   1 Trityl
M  SAP   1  1  22  17  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-116

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Indole-maleimide-trotylimidazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C1NC(=O)C(C2=CNC3=CC=CC=C23)=C1C1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C34H24N4O2/c39-32-30(27-20-35-28-19-11-10-18-26(27)28)31(33(40)37-32)29-21-38(22-36-29)34(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-22,35H,(H,37,39,40)



$$$$

  Mrv1927 02072015302D          

 41 47  0  0  0  0            999 V2000
   -3.6071    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3216    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15  22  24  25  26  27  28  29  30  31  32  33  34  35  36  37
M  SAL   1  4  38  39  40  41
M  SBL   1  1  25
M  SMT   1 Trityl
M  SAP   1  1  22  17  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-117

>  <PUBCHEM_SUBSTANCE_SYNONYM>
6-Bromoindole-maleimide-tritylimidazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=C2C(NC=C2C2=C(C(=O)NC2=O)C2=CN(C=N2)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C34H23BrN4O2/c35-25-16-17-26-27(19-36-28(26)18-25)30-31(33(41)38-32(30)40)29-20-39(21-37-29)34(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-21,36H,(H,38,40,41)



$$$$

  Mrv1927 02072015302D          

  8  8  0  0  0  0            999 V2000
   -1.5714   -0.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9040    0.2296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9839    1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2389    0.2296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4915    1.4991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2787    1.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1026    1.1603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
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  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-118

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Imidazole-4(5)acetonitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CCC1=CNC=N1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C5H5N3/c6-2-1-5-3-7-4-8-5/h3-4H,1H2,(H,7,8)



$$$$

  Mrv1927 02072015302D          

 27 30  0  0  0  0            999 V2000
   -0.6375    0.8036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    1.4710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070    1.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9070    0.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1224    0.1361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5989    1.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4059    1.4939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2309    1.4939    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656   -0.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9871   -2.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439   -1.8861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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 15 10  2  0  0  0  0
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 12  9  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 19  2  0  0  0  0
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  9 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 15   9  10  11  12  13  14  15  16  17  18  19  20  21  22  23
M  SAL   1  4  24  25  26  27
M  SBL   1  1   9
M  SMT   1 Trityl
M  SAP   1  1   9   5  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-119

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Tritylimidazole-4-acetonitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CCC1=CN(C=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H19N3/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16H2



$$$$

  Mrv1927 02072015302D          

 10 11  0  0  0  0            999 V2000
   -2.1071    1.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8216    1.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3927    1.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6080    1.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5135   -0.1654    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-120

>  <PUBCHEM_SUBSTANCE_SYNONYM>
6-Bromoindole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=C2C=CNC2=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C8H6BrN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H



$$$$

  Mrv1927 02072015302D          

 11 12  0  0  0  0            999 V2000
   -3.5179    1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323   -0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -0.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5339    0.3214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188    0.9888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1518   -1.1267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  2  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-121

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Cyanobenzotriazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CN1N=NC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C7H4N4/c8-5-11-7-4-2-1-3-6(7)9-10-11/h1-4H



$$$$

  Mrv1927 02072015302D          

 10 11  0  0  0  0            999 V2000
   -3.5179    1.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2323   -0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5179   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034   -0.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    0.7339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188   -0.3460    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5339    0.3214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0188    0.9888    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -1.1699    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  2  1  1  0  0  0  0
  6  5  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-122

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Chlorobenzotriazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClN1N=NC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C6H4ClN3/c7-10-6-4-2-1-3-5(6)8-9-10/h1-4H



$$$$

  Mrv1927 02072015302D          

 11 11  0  0  0  0            999 V2000
   -0.5000    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    0.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  3  0  0  0  0
  3  6  3  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-123

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Phenylmalononitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC(C#N)C1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H



$$$$

  Mrv1927 02072015302D          

 12 12  0  0  0  0            999 V2000
   -0.5000    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    0.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8000    0.6250    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  3  0  0  0  0
  3  6  3  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  9 12  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-124

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Bromophenylmalononitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=C(C=C1)C(C#N)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H5BrN2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,8H



$$$$

  Mrv1927 02072015302D          

 12 12  0  0  0  0            999 V2000
   -0.5000    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    0.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526    2.0069    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  3  0  0  0  0
  3  6  3  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
  7 12  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-125

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Chlorophenylmalononitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClC1=CC=CC=C1C(C#N)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H5ClN2/c10-9-4-2-1-3-8(9)7(5-11)6-12/h1-4,7H



$$$$

  Mrv1927 02072015302D          

 14 15  0  0  0  0            999 V2000
   -0.5000    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    0.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1145   -0.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8682   -0.3670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7820    0.4534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  3  0  0  0  0
  3  6  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 12  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-126

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,4-Methylenedioxyphenylmalonitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC(C#N)C1=CC=C2OCOC2=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C10H6N2O2/c11-4-8(5-12)7-1-2-9-10(3-7)14-6-13-9/h1-3,8H,6H2



$$$$

  Mrv1927 02072015302D          

 15 16  0  0  0  0            999 V2000
   -0.5000    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2145    0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    1.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0293    0.0834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625    1.3395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750    0.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5625   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9750   -0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5626   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7376   -1.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3250   -0.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  3  0  0  0  0
  3  6  3  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  4  7  2  0  0  0  0
  4 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 12  1  0  0  0  0
 11 15  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-127

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Napthylmalononitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC(C#N)C1=CC=CC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H8N2/c14-8-11(9-15)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11H



$$$$

  Mrv1927 02072015302D          

 12 13  0  0  0  0            999 V2000
   -0.5647    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8996    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2322   -0.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3662   -0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -0.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
  1  9  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-128

>  <PUBCHEM_SUBSTANCE_SYNONYM>
5-Cyano-2,2'-bithiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=C(S1)C1=CC=CS1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H5NS2/c10-6-7-3-4-9(12-7)8-2-1-5-11-8/h1-5H



$$$$

  Mrv1927 02072015302D          

 14 15  0  0  0  0            999 V2000
   -0.5647    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6446    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8996    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2322   -0.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5960    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161    0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2612    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.4696    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3662   -0.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -0.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6532   -0.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4782   -0.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  1  0  0  0  0
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  6 11  1  0  0  0  0
 11 12  3  0  0  0  0
  4 13  1  0  0  0  0
 13 14  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-129

>  <PUBCHEM_SUBSTANCE_SYNONYM>
5,5'-Dicyano-2,2'-bithiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=C(S1)C1=CC=C(S1)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C10H4N2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-4H



$$$$

  Mrv1927 02072015302D          

 10 10  0  0  0  0            999 V2000
    0.0554    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7696    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1821    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -0.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4679    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2929    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1179    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9417    0.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7656    0.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  8  9  1  0  0  0  0
  9 10  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-130

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Phenyl-2-propynenitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC#CC1=CC=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C9H5N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H



$$$$

  Mrv1927 02072015302D          

 21 23  0  0  0  0            999 V2000
   -3.7321    1.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4466    0.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7321   -0.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0177    0.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2331   -0.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330    1.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9782   -0.9878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982    0.4643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672    0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4262   -0.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    0.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2299    1.4646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7233   -1.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851   -0.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  3  0  0  0  0
 19 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 16 10  1  0  0  0  0
 10 20  2  0  0  0  0
 10 21  2  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 10  10  13  14  15  16  17  18  19  20  21
M  SBL   1  1  11
M  SMT   1 Tosyl
M  SAP   1  1  10   7  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-131

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-p-Toluenesulfonyl-2-cyanoindole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N1C(=CC2=C1C=CC=C2)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H12N2O2S/c1-12-6-8-15(9-7-12)21(19,20)18-14(11-17)10-13-4-2-3-5-16(13)18/h2-10H,1H3



$$$$

  Mrv1927 02072015302D          

 17 18  0  0  0  0            999 V2000
   -3.0177    0.0518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0177    0.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2331   -0.2032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7482    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2330    1.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9782   -0.9878    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232    0.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0982    0.4643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3222    0.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0672    0.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6192   -0.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7233   -1.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7851   -0.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 15  9  1  0  0  0  0
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 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 12  6  1  0  0  0  0
  6 16  2  0  0  0  0
  6 17  2  0  0  0  0
M  STY  1   1 SUP
M  SAL   1 10   6   9  10  11  12  13  14  15  16  17
M  SBL   1  1   6
M  SMT   1 Tosyl
M  SAP   1  1   6   3  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-132

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-p-Toluenesulfonyl-2-cyanopyrrole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C=C1)S(=O)(=O)N1C=CC=C1C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H10N2O2S/c1-10-4-6-12(7-5-10)17(15,16)14-8-2-3-11(14)9-13/h2-8H,1H3



$$$$

  Mrv1927 02072015302D          

 29 31  0  0  0  0            999 V2000
   -4.0714    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1982    1.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4531    0.5153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5511   -1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9801   -1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6946   -0.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4090   -1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
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  1  5  1  0  0  0  0
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  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  6 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 11 15  1  0  0  0  0
  2 10  1  0  0  0  0
  7 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  3  0  0  0  0
  6 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 18 19  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-133

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Dodecyl-2-(5-cyanothienyl)-5-thienylpyrrole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCN1C(=CC=C1C1=CC=C(S1)C#N)C1=CC=CS1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C25H32N2S2/c1-2-3-4-5-6-7-8-9-10-11-18-27-22(24-13-12-19-28-24)15-16-23(27)25-17-14-21(20-26)29-25/h12-17,19H,2-11,18H2,1H3



$$$$

  Mrv1927 02072015302D          

 31 33  0  0  0  0            999 V2000
   -4.0714    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589    1.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-134

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Dodecyl-2,5-di(5-cyanothienyl)pyrrole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCN1C(=CC=C1C1=CC=C(S1)C#N)C1=CC=C(S1)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C26H31N3S2/c1-2-3-4-5-6-7-8-9-10-11-18-29-23(25-16-12-21(19-27)30-25)14-15-24(29)26-17-13-22(20-28)31-26/h12-17H,2-11,18H2,1H3



$$$$

  Mrv1927 02072015302D          

 21 24  0  0  0  0            999 V2000
   -4.0714    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-135

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(5-Cyanothienyl)-2-thienylbenzo[c]thiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=C(S1)C1=C2C=CC=CC2=C(S1)C1=CC=CS1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H9NS3/c18-10-11-7-8-15(20-11)17-13-5-2-1-4-12(13)16(21-17)14-6-3-9-19-14/h1-9H



$$$$

  Mrv1927 02072015302D          

 23 26  0  0  0  0            999 V2000
   -4.0714    0.0125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040    0.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-136

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,3-Di(2-thienyl)benzo[c]thiophene-5,5'-dicarbonitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=C(S1)C1=C2C=CC=CC2=C(S1)C1=CC=C(S1)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H8N2S3/c19-9-11-5-7-15(21-11)17-13-3-1-2-4-14(13)18(23-17)16-8-6-12(10-20)22-16/h1-8H



$$$$

  Mrv1927 02072015302D          

 12 13  0  0  0  0            999 V2000
   -2.7857    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5002    0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8746    0.8261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-137

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Cyanonaphthalene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC2=CC=CC=C2C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H



$$$$

  Mrv1927 02072015302D          

 16 18  0  0  0  0            999 V2000
   -3.0179    1.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7323    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-138

>  <PUBCHEM_SUBSTANCE_SYNONYM>
9-Cyanoanthracene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=C2C=CC=CC2=CC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H



$$$$

  Mrv1927 02072015302D          

 30 34  0  0  0  0            999 V2000
   -2.1607    0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1607   -1.6857    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -2.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4015    1.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0855   -2.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2600   -1.1021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5639   -1.1452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0435   -3.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8137   -3.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4549   -2.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3258   -2.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
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  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
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 12 14  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 11 23  1  0  0  0  0
 11 26  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 23 27  1  0  0  0  0
 24 30  1  0  0  0  0
 24 23  2  0  0  0  0
 18 19  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-139

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(N,N'-phenylenediamidino)-benzotriazole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N=C(NC1=CC=C(NC(=N)N2N=NC3=C2C=CC=C3)C=C1)N1N=NC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C20H16N10/c21-19(29-17-7-3-1-5-15(17)25-27-29)23-13-9-11-14(12-10-13)24-20(22)30-18-8-4-2-6-16(18)26-28-30/h1-12H,(H2,21,23)(H2,22,24)



$$$$

  Mrv1927 02072015302D          

 12 12  0  0  0  0            999 V2000
   -1.3214    0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359    0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359   -0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6070    0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214    1.3822    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3214   -1.9179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863    1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -2.4267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    1.7567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  3  0  0  0  0
  9 12  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-140

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N',N''-(1,4-Phenylene)bis(cyanamide)

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CNC1=CC=C(NC#N)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C8H6N4/c9-5-11-7-1-2-8(4-3-7)12-6-10/h1-4,11-12H



$$$$

  Mrv1927 02072015302D          

 12 12  0  0  0  0            999 V2000
   -1.3214    0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359    0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3214   -1.9179    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5863    1.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7083   -2.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1155   -2.4267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387    1.7567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  9 12  3  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-141

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N,N'-Dicyano-1,4-benzoquinonediimine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CN=C1C=CC(C=C1)=NC#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C8H4N4/c9-5-11-7-1-2-8(4-3-7)12-6-10/h1-4H/b11-7-,12-8-



$$$$

  Mrv1927 02072015302D          

 41 43  0  0  0  0            999 V2000
   -4.4464    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609    0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0175   -1.1107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
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 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 31  2  0  0  0  0
 30 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  3  0  0  0  0
 38 40  3  0  0  0  0
 29 41  3  0  0  0  0
M  CHG  2   7   1  36  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-142

>  <PUBCHEM_SUBSTANCE_SYNONYM>
(Z)-alpha-Cyano-beta-(N-hexadecylquinolin-4-ylium)-4-styryldicanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCC[N+]1=CC=C(\C=C(/C#N)C2=CC=C(C=C2)[C-](C#N)C#N)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C37H44N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-41-26-24-33(36-18-15-16-19-37(36)41)27-34(28-38)31-20-22-32(23-21-31)35(29-39)30-40/h15-16,18-24,26-27H,2-14,17,25H2,1H3/b34-27+



$$$$

  Mrv1927 02072015302D          

 17 16  0  0  0  0            999 V2000
   -1.3393    1.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538    0.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3393   -0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  4  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
 11 13  3  0  0  0  0
 12 14  3  0  0  0  0
  9 15  3  0  0  0  0
 10 16  3  0  0  0  0
M  CHG  2   8  -1  17   1
M  RAD  1   7   2
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-143

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Li+TCNQ.-

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[Li+].N#C[C](C#N)C1=CC=C(C=C1)[C-](C#N)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H4N4.Li/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;/h1-4H;/q-1;+1



$$$$

  Mrv1927 02072015302D          

 28 28  0  0  0  0            999 V2000
   -4.4464    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4464   -1.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320    0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175   -1.1107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3030   -0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  1  0  0  0  0
 10 27  1  0  0  0  0
M  CHG  2   7   1  28  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-144

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Hexadecyllepidinium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[Br-].CCCCCCCCCCCCCCCC[N+]1=CC=C(C)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C26H42N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-27-23-21-24(2)25-19-16-17-20-26(25)27;/h16-17,19-21,23H,3-15,18,22H2,1-2H3;1H/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 38 39  0  0  0  0            999 V2000
   -4.4464    0.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609    0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1609   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7320   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7320    0.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0175   -1.1107    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3030   -0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3030    0.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
 28 33  2  0  0  0  0
 31 34  1  0  0  0  0
 28 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  2  0  0  0  0
 35 38  1  0  0  0  0
M  CHG  2   7   1  38  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-145

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methyllepidinium tosylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCC[N+]1=CC=C(C)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C26H42N.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-27-23-21-24(2)25-19-16-17-20-26(25)27;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-21,23H,3-15,18,22H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 26 28  0  0  0  0            999 V2000
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   -3.7320   -0.6982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   7   1  21  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-146

>  <PUBCHEM_SUBSTANCE_SYNONYM>
(Z)-alpha-Cyano-beta-(N-methylquinolin-4-ylium)-4-styryldicanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C[N+]1=CC=C(\C=C(/C#N)C2=CC=C(C=C2)[C-](C#N)C#N)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C22H14N4/c1-26-11-10-18(21-4-2-3-5-22(21)26)12-19(13-23)16-6-8-17(9-7-16)20(14-24)15-25/h2-12H,1H3/b19-12+



$$$$

  Mrv1927 02072015302D          

 40 42  0  0  0  0            999 V2000
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   -2.4864    1.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239    0.5603    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    0.1281    1.1734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435    0.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0674    0.1185    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9351    1.3449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  3  0  0  0  0
  7 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 15 16  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 12 31  1  0  0  0  0
 12 35  2  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  3  0  0  0  0
 37 40  3  0  0  0  0
M  CHG  2   7   1  36  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-147

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Z-beta-(N-n-Hexadecyl-2-benzothiazolium)-alpha-cyano-4-styryldicyanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCC[N+]1=C(SC2=C1C=CC=C2)\C=C(/C#N)C1=CC=C(C=C1)[C-](C#N)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C35H42N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-39-33-18-15-16-19-34(33)40-35(39)25-31(26-36)29-20-22-30(23-21-29)32(27-37)28-38/h15-16,18-23,25H,2-14,17,24H2,1H3/b31-25+



$$$$
cetyl tosylate 
  Mrv1927 02072015302D          

 27 27  0  0  0  0            999 V2000
   -2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1599   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9849   -2.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 12  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-148

>  <PUBCHEM_SUBSTANCE_SYNONYM>
cetyl tosylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=C(C)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C23H40O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-26-27(24,25)23-19-17-22(2)18-20-23/h17-20H,3-16,21H2,1-2H3



$$$$

  Mrv1927 02072015302D          

 37 38  0  0  0  0            999 V2000
   -7.0179    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0179   -0.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3034   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3034    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188   -0.7746    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.0339   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188    0.5603    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2852   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6073    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6073    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1784    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1784    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    2.9536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    2.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7167    2.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497    3.7775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 30 33  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
M  CHG  2   7   1  37  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-149

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Hexadecyl-2-methylbenzothiazolium tosylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCC[N+]1=C(C)SC2=C1C=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H40NS.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(2)26-24-20-17-16-19-23(24)25;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-20H,3-15,18,21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 37 38  0  0  0  0            999 V2000
   -7.0179    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0179   -0.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3034   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3034    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188   -0.7746    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.0339   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188    0.5603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2852   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5707   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1417   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0017   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7161   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4306   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8596   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5740   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0030   -1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7174   -1.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    2.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6073    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6073    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    0.4786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1784    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1784    1.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -0.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929    2.9536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0690    2.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7167    2.9104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8497    3.7775    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 12  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 27 32  2  0  0  0  0
 30 33  1  0  0  0  0
 27 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  2  0  0  0  0
 34 37  1  0  0  0  0
M  CHG  2   7   1  37  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-150

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Hexadecyl-2-methylbenzoxazolium tosylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCC[N+]1=C(C)OC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H40NO.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(2)26-24-20-17-16-19-23(24)25;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-20H,3-15,18,21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

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M  CHG  2   7   1  37  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-151

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Hexadecyl-2-methylbenzoselenazolium tosylate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCCCCC[N+]1=C(C)[Se]C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H40NSe.C7H8O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(2)26-24-20-17-16-19-23(24)25;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-20H,3-15,18,21H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 40 42  0  0  0  0            999 V2000
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   -5.0339   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   7   1  36  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-152

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Z-beta-(N-n-Hexadecyl-2-benzoselenazolium)-alpha-cyano-4-styryldicyanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCC[N+]1=C([Se]C2=C1C=CC=C2)\C=C(/C#N)C1=CC=C(C=C1)[C-](C#N)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C35H42N4Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-39-33-18-15-16-19-34(33)40-35(39)25-31(26-36)29-20-22-30(23-21-29)32(27-37)28-38/h15-16,18-23,25H,2-14,17,24H2,1H3/b31-25+



$$$$
cetyl triflate
  Mrv1927 02072015302D          

 24 23  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
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  1  9  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-153

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Cetyl triflate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCOS(=O)(=O)C(F)(F)F

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H33F3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-24(21,22)17(18,19)20/h2-16H2,1H3



$$$$

  Mrv1927 02072015302D          

 34 34  0  0  0  0            999 V2000
   -7.0179    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   7   1  31  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-154

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Hexadecyl-2-methylbenzotellurazolium triflate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCCCCCCCC[N+]1=C(C)[Te]C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H40NTe.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-25-22(2)26-24-20-17-16-19-23(24)25;2-1(3,4)8(5,6)7/h16-17,19-20H,3-15,18,21H2,1-2H3;(H,5,6,7)/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

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 31 32  2  0  0  0  0
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 36 38  1  0  0  0  0
 38 39  3  0  0  0  0
 37 40  3  0  0  0  0
M  CHG  2   7   1  36  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-155

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Z-beta-(N-n-Hexadecyl-2-benzotellurazolium)-alpha-cyano-4-styryldicyanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCC[N+]1=C([Te]C2=C1C=CC=C2)\C=C(/C#N)C1=CC=C(C=C1)[C-](C#N)C#N

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C35H42N4Te/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-39-33-18-15-16-19-34(33)40-35(39)25-31(26-36)29-20-22-30(23-21-29)32(27-37)28-38/h15-16,18-23,25H,2-14,17,24H2,1H3/b31-25+



$$$$

  Mrv1927 02072015302D          

 24 24  0  0  0  0            999 V2000
   -1.6429    0.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3573    0.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  9  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-156

>  <PUBCHEM_SUBSTANCE_SYNONYM>
meta-Hexadecylbenzyl bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCC1=CC=CC(CBr)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C23H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-18-16-19-23(20-22)21-24/h16,18-20H,2-15,17,21H2,1H3



$$$$

  Mrv1927 02072015302D          

 47 50  0  0  0  0            999 V2000
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 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2   7   1  20  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-157

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Z-beta-(N-meta-Hexadecylbenzyl-2-benzothiazolium)-alpha-cyano-4-styryldicyanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCC1=CC(C[N+]2=C(SC3=CC=CC=C23)\C=C(/C#N)C2=CC=C(C=C2)[C-](C#N)C#N)=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C42H48N4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-34-20-18-21-35(28-34)33-46-40-22-16-17-23-41(40)47-42(46)29-38(30-43)36-24-26-37(27-25-36)39(31-44)32-45/h16-18,20-29H,2-15,19,33H2,1H3/b38-29+



$$$$

  Mrv1927 02072015302D          

 47 50  0  0  0  0            999 V2000
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 21 24  3  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  2  0  0  0  0
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 29 30  2  0  0  0  0
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 33 34  1  0  0  0  0
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 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  2   7   1  20  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-158

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Z-beta-(N-meta-Hexadecylbenzyl-2-benzoselenazolium)-alpha-cyano-4-styryldicyanomethanide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCC1=CC(C[N+]2=C([Se]C3=CC=CC=C23)\C=C(/C#N)C2=CC=C(C=C2)[C-](C#N)C#N)=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C42H48N4Se/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-34-20-18-21-35(28-34)33-46-40-22-16-17-23-41(40)47-42(46)29-38(30-43)36-24-26-37(27-25-36)39(31-44)32-45/h16-18,20-29H,2-15,19,33H2,1H3/b38-29+



$$$$

  Mrv1927 02072015302D          

 10 10  0  0  0  0            999 V2000
   -2.0714    0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3570    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -0.8781    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3178    2.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973    2.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-159

>  <PUBCHEM_SUBSTANCE_SYNONYM>
meta-Bromobenzyl methyl ether

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COCC1=CC(Br)=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C8H9BrO/c1-10-6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3



$$$$

  Mrv1927 02072015302D          

 25 25  0  0  0  0            999 V2000
   -2.0714    0.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859    0.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0714    1.7036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10 11  1  0  0  0  0
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 14 15  1  0  0  0  0
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 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-160

>  <PUBCHEM_SUBSTANCE_SYNONYM>
meta-Hexadecyl benzyl methyl ether

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCC1=CC=CC(COC)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C24H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-19-17-20-24(21-23)22-25-2/h17,19-21H,3-16,18,22H2,1-2H3



$$$$

  Mrv1927 02072015302D          

 18 19  0  0  0  0            999 V2000
   -7.0179    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
M  CHG  2   7   1  18  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-161

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-Benzyl-2-methylbenzothiazolium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[Br-].CC1=[N+](CC2=CC=CC=C2)C2=CC=CC=C2S1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H14NS.BrH/c1-12-16(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12;/h2-10H,11H2,1H3;1H/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 34 35  0  0  0  0            999 V2000
   -7.0179    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.3034    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4302   -2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0977   -1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -1.0893    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   -3.7181   -4.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8438   -3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5789   -3.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708   -3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058   -3.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 25 26  1  0  0  0  0
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 29 30  1  0  0  0  0
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 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  2   7   1  18  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-162

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-(meta-Hexadecylbenzyl)-2-methylbenzothiazolium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[Br-].CCCCCCCCCCCCCCCCC1=CC(C[N+]2=C(C)SC3=CC=CC=C23)=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C31H46NS.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-21-19-22-29(25-28)26-32-27(2)33-31-24-18-17-23-30(31)32;/h17-19,21-25H,3-16,20,26H2,1-2H3;1H/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 45 46  0  0  0  0            999 V2000
   -7.0179    0.7179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0179   -0.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3034   -0.5197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3034    0.3054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188   -0.7746    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.0339   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5188    0.5603    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -4.2089   -0.1072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8514   -2.0845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9376   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2702   -3.3899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5165   -3.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4302   -2.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0977   -1.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5000   -1.0893    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
   -3.7181   -4.0030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9830   -4.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2911   -3.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561   -4.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8642   -3.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1291   -4.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2979   -4.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -3.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5789   -3.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2708   -3.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0058   -3.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5817    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2961    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5817   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1328    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -0.6674    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4023    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    0.6674    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    2.2273    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9362   -0.9821    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 19 20  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 35 40  2  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 39 41  1  0  0  0  0
 40 43  1  0  0  0  0
 42 44  1  0  0  0  0
M  CHG  4   7   1  18  -1  41   1  45  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-163

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-(meta-Hexadecylbenzyl)-2-methylbenzoselenazolium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[Br-].[Br-].CC1=[NH+]C2=CC=CC=C2[Se]1.CCCCCCCCCCCCCCCCC1=CC(C[N+]2=C(C)[Se]C3=CC=CC=C23)=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C31H46NSe.C8H7NSe.2BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-21-19-22-29(25-28)26-32-27(2)33-31-24-18-17-23-30(31)32;1-6-9-7-4-2-3-5-8(7)10-6;;/h17-19,21-25H,3-16,20,26H2,1-2H3;2-5H,1H3;2*1H/q+1;;;/p-1



$$$$

  Mrv1927 02072015302D          

 18 18  0  0  0  0            999 V2000
   -4.0000    1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7145    0.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7145    0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0000   -0.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2855    0.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8566    0.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8566    0.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711    1.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711   -1.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1503   -0.0917    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8216    1.1446    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9040    0.5186    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4660    1.2513    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3721    0.3576    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  0  0  0  0
M  CHG  2   7   1  12  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-164

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methylquinolinium hexafluorophosphate

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
F[P-](F)(F)(F)(F)F.C[N+]1=CC=CC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C10H10N.F6P/c1-11-8-4-6-9-5-2-3-7-10(9)11;1-7(2,3,4,5)6/h2-8H,1H3;/q+1;-1



$$$$

  Mrv1927 02072015302D          

 23 25  0  0  0  0            999 V2000
   -3.4107    1.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1252    0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1252   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4107   -0.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962    0.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818   -0.5572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673   -0.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673    0.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818    1.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818    1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2281    2.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5606    1.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7004    2.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  7 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  CHG  2  21   1  22  -1
M  STY  1   1 SUP
M  SAL   1  3  21  22  23
M  SBL   1  1  23
M  SMT   1 NO2
M  SAP   1  1  21  15  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-165

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-methyl-4-(E-cyano-p-nitrophenylmethylidene)quinoline

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CN1C=C\C(=C(\C#N)C2=CC=C(C=C2)[N+]([O-])=O)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H13N3O2/c1-20-11-10-15(16-4-2-3-5-18(16)20)17(12-19)13-6-8-14(9-7-13)21(22)23/h2-11H,1H3/b17-15+



$$$$

  Mrv1927 02072015302D          

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   -6.8395    1.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   7   1  26  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-166

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Hexadecylquinolinium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[Br-].CCCCCCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C25H40N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-26-23-18-20-24-19-15-16-21-25(24)26;/h15-16,18-21,23H,2-14,17,22H2,1H3;1H/q+1;/p-1



$$$$

  Mrv1927 02072015302D          

 38 40  0  0  0  0            999 V2000
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M  CHG  2  21   1  37  -1
M  STY  1   1 SUP
M  SAL   1  3  21  37  38
M  SBL   1  1  23
M  SMT   1 NO2
M  SAP   1  1  21  15  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-167

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-Hexadecyl-4-(E-cyano-p-nitrophenylmethylidene)quinoline

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCN1C=C\C(=C(\C#N)C2=CC=C(C=C2)[N+]([O-])=O)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C33H43N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-35-26-24-30(31-18-15-16-19-33(31)35)32(27-34)28-20-22-29(23-21-28)36(37)38/h15-16,18-24,26H,2-14,17,25H2,1H3/b32-30+



$$$$

  Mrv1927 02072015302D          

 11 11  0  0  0  0            999 V2000
   -1.3214   -0.8982    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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M  CHG  2   8   1  10  -1
M  STY  2   1 SUP   2 SUP
M  SAL   1  2   7   9
M  SBL   1  1   7
M  SMT   1 CN
M  SAP   1  1   7   6  1
M  SAL   2  3   8  10  11
M  SBL   2  1   8
M  SMT   2 NO2
M  SAP   2  1   8   5  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-168

>  <PUBCHEM_SUBSTANCE_SYNONYM>
5-Nitro-2-thienylacetonitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[O-][N+](=O)C1=CC=C(CC#N)S1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C6H4N2O2S/c7-4-3-5-1-2-6(11-5)8(9)10/h1-2H,3H2



$$$$

  Mrv1927 02072015302D          

 31 32  0  0  0  0            999 V2000
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    5.1532   -1.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8451   -2.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5801   -1.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2720   -2.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0071   -1.9057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6990   -2.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6995    2.9562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516    3.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  5  7  1  0  0  0  0
  6 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  7 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 13 15  1  0  0  0  0
 14 30  3  0  0  0  0
 12 31  3  0  0  0  0
M  STY  2   1 SUP   2 SUP
M  SAL   1  2  14  30
M  SBL   1  1  15
M  SMT   1 CN
M  SAP   1  1  14  11  1
M  SAL   2  2  12  31
M  SBL   2  1  13
M  SMT   2 CN
M  SAP   2  1  12  11  1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-169

>  <PUBCHEM_SUBSTANCE_SYNONYM>
N-Hexadecyl-4-(dicyanomethylidene)quinoline

>  <PUBCHEM_SUBSTANCE_COMMENT>
Hughes, T. V. Part 1, Synthetic approaches to indole/imidazole marine alkaloids; Part 2, 1-Cyanobenzotriazole as a cyanating agent ; Part 3, Synthesis of potential molecular rectifiers. Ph.D. Dissertation, The University of Alabama, 1999.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
http://library.ua.edu/vwebv/holdingsInfo?bibId=1016924

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCCCCCCCCCCCCCN1C=CC(=C(C#N)C#N)C2=CC=CC=C12

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C28H39N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-31-22-20-26(25(23-29)24-30)27-18-15-16-19-28(27)31/h15-16,18-20,22H,2-14,17,21H2,1H3



$$$$
