C30H50Cl2P2Pd
  cdxl160008151705012D

 35 36  0  0  0  0  0  0  0  0999 V2000
   -1.8662    0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8662   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233   -0.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803    0.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5233    0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374    0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944    0.0983    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    0.2963    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515    0.6923    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1515   -0.0997    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3362    0.2963    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    0.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1012    0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2037   -0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -0.1887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8662    0.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7637    0.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3812    0.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7745   -0.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4954   -0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0535   -0.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0535    0.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0998   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4944   -0.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8891   -0.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6162    0.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953    0.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953   -0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -0.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7308   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3362   -0.4943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0584   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0        0
 20 22  1  0        0
 20 23  1  0        0
  8 20  1  0        0
 24 25  1  0        0
 24 26  1  0        0
 24 27  1  0        0
  8 24  1  0        0
 28 29  1  0        0
 28 30  1  0        0
 28 31  1  0        0
 12 28  1  0        0
 32 33  1  0        0
 32 34  1  0        0
 32 35  1  0        0
 12 32  1  0        0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  1  1  0        0
  5  7  1  0        0
  7  8  1  0        0
  8  9  1  0        0
  9 10  1  0        0
  9 11  1  0        0
  9 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 18 19  2  0        0
 19 14  1  0        0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  20  21  22  23
M  SBL   1  1   4
M  SMT   1 ^tBu
M  SBV   1   4    0.2800    0.2800
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  24  25  26  27
M  SBL   2  1   8
M  SMT   2 tBu
M  SBV   2   8    0.0000    0.3960
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  4  28  29  30  31
M  SBL   3  1  12
M  SMT   3 tBu
M  SBV   3  12   -0.2800    0.2800
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  4  32  33  34  35
M  SBL   4  1  16
M  SMT   4 tBu
M  SBV   4  16    0.0000    0.3960
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-1

>  <PUBCHEM_SUBSTANCE_SYNONYM>
palladium(II) bis(di-tert-butylbenzylphosphine) dichloride

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
Cl[Pd](Cl)([P](C(C)(C)C)(C(C)(C)C)CC1=CC=CC=C1)[P](C(C)(C)C)(C(C)(C)C)CC2=CC=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/2C15H25P.2ClH.Pd/c2*1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13;;;/h2*7-11H,12H2,1-6H3;2*1H;/q;;;;+2/p-2

$$$$
C15H26BrP
  cdxl160008151705012D

 17 16  0  0  0  0  0  0  0  0999 V2000
   -0.3429   -0.0990    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.4950    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
  9 12  1  0        0
  9 11  1  0        0
  1  9  1  0        0
 13 14  1  0        0
 13 16  1  0        0
 13 15  1  0        0
  1 13  1  0        0
M  CHG  2   1   1  17  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-2

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Di-tert-butylbenzylphosphonium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC([PH+](C(C)(C)C)CC1=CC=CC=C1)(C)C.[Br-]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H25P.BrH/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13;/h7-11H,12H2,1-6H3;1H

$$$$
C19H30BrP
  cdxl160008151705012D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.1980    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.5940    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
  9 14  1  0        0
  1  9  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 15 20  1  0        0
  1 15  1  0        0
M  CHG  2   1   1  21  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-3

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Dicyclohexylbenzylphosphonium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[PH+](C1CCCCC1)(C2CCCCC2)CC3=CC=CC=C3.[Br-]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H29P.BrH/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2;1H

$$$$
C27H38BrP
  cdxl160008151705012D

 29 34  0  0  0  0  0  0  0  0999 V2000
   -0.1521    0.0057    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    0.2439    0.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0193    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0217    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3549    1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6242    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212   -0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985   -0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127   -0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -0.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135   -0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5481    0.0057    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
  9 16  1  0        0
 15 17  1  0        0
 11 17  1  0        0
 13 18  1  0        0
  9 18  1  0        0
  1  9  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 19 26  1  0        0
 25 27  1  0        0
 21 27  1  0        0
 23 28  1  0        0
 19 28  1  0        0
  1 19  1  0        0
M  CHG  2   1   1  29  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-4

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Di-1-adamantylbenzylphosphonium bromide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
[PH+](C12CC3CC(C2)CC(C3)C1)(C45CC6CC(C5)CC(C6)C4)CC7=CC=CC=C7.[Br-]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C27H37P.BrH/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27;/h1-5,20-25H,6-18H2;1H

$$$$
C16H27P
  cdxl160008151705012D

 17 17  0  0  0  0  0  0  0  0999 V2000
    0.5144    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  3  4  1  0        0
  1  2  1  0        0
 10 11  1  0        0
 10 13  1  0        0
 10 12  1  0        0
  1 10  1  0        0
 14 15  1  0        0
 14 17  1  0        0
 14 16  1  0        0
  1 14  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-5

>  <PUBCHEM_SUBSTANCE_SYNONYM>
di-tert-butyl(2-phenylethyl)phosphine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(P(C(C)(C)C)CCC1=CC=CC=C1)(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H27P/c1-15(2,3)17(16(4,5)6)13-12-14-10-8-7-9-11-14/h7-11H,12-13H2,1-6H3

$$$$
C15H16
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  6 13  1  0        0
  4 14  1  0        0
  2 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-6

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,4,6-Trimethylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=C(C2=CC=CC=C2)C(C)=CC(C)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H16/c1-11-9-12(2)15(13(3)10-11)14-7-5-4-6-8-14/h4-10H,1-3H3

$$$$
C16H18
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  6 13  1  0        0
  4 14  1  0        0
  8 15  1  0        0
  2 16  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-7

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,2',4,6-Tetramethylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=C(C2=CC=CC=C2C)C(C)=CC(C)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H18/c1-11-9-13(3)16(14(4)10-11)15-8-6-5-7-12(15)2/h5-10H,1-4H3

$$$$
C15H16
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  1  0        0
 13 15  1  0        0
  2 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-8

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Isopropylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C1=CC=CC=C1C2=CC=CC=C2)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H16/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-12H,1-2H3

$$$$
C16H18
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  8 13  1  0        0
 14 15  1  0        0
 14 16  1  0        0
  2 14  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-9

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Isopropyl-2'-methylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=CC=C1C2=CC=CC=C2C(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H18/c1-12(2)14-9-6-7-11-16(14)15-10-5-4-8-13(15)3/h4-12H,1-3H3

$$$$
C19H16
  cdxl160008151705012D

 19 21  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 13 18  2  0        0
  8 13  1  0        0
  2 19  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-10

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methyl-1,1',2',1''-terphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=CC=C1C2=CC=CC=C2C3=CC=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H16/c1-15-9-5-6-12-17(15)19-14-8-7-13-18(19)16-10-3-2-4-11-16/h2-14H,1H3

$$$$
C17H14
  cdxl160008151705012D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.3429   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
  1 10  2  0        0
  5 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 11 16  2  0        0
 12 17  1  0        0
  1 11  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-11

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(2-Methylphenyl)naphthalene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=CC=C1C2=C3C=CC=CC3=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H14/c1-13-7-2-4-10-15(13)17-12-6-9-14-8-3-5-11-16(14)17/h2-12H,1H3

$$$$
C15H14F2
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 12 13  1  0        0
 10 14  1  0        0
  8 15  1  0        0
  4 16  1  0        0
  2 17  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-12

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,4-Difluoro-2',4',6'-trimethylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=C(C2=CC=C(F)C=C2F)C(C)=CC(C)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H14F2/c1-9-6-10(2)15(11(3)7-9)13-5-4-12(16)8-14(13)17/h4-8H,1-3H3

$$$$
C13H12
  cdxl160008151705012D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  2 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-13

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=CC=C1C2=CC=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H12/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h2-10H,1H3

$$$$
C13H9F3
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.8910    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.2970    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  1  0        0
 13 15  1  0        0
 13 16  1  0        0
  4 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-14

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-(a,a,a-Trifluoromethyl)biphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
FC(C1=CC=C(C2=CC=CC=C2)C=C1)(F)F

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H9F3/c14-13(15,16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

$$$$
C13H9N
  cdxl160008151705012D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.7920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  3  0        0
  4 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-15

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Cyanobiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=C(C2=CC=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H

$$$$
C15H12O
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    1.5433    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  9 10  3  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 11 16  2  0        0
 10 11  1  0        0
  6  9  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-16

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-(Phenylethynyl)anisole

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC=C(C#CC2=CC=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H12O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-6,9-12H,1H3

$$$$
C15H12
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  1  7  1  0        0
  7  8  3  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14  9  1  0        0
  6 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-17

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methyldiphenylacetylene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=C(C#CC2=CC=CC=C2)C=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H12/c1-13-7-5-6-10-15(13)12-11-14-8-3-2-4-9-14/h2-10H,1H3

$$$$
C15H14
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  8  9  1  0        0
  4  7  1  0        0
  1 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-18

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methyl-4-(2-phenylethenyl)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(/C=C/C2=CC=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H14/c1-13-7-9-15(10-8-13)12-11-14-5-3-2-4-6-14/h2-12H,1H3/b12-11+

$$$$
C16H14O
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  8  9  1  0        0
  4  7  1  0        0
 15 16  2  0        0
 15 17  1  0        0
  1 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-19

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Acetyl-4-(2-phenylethenyl)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

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

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H14O/c1-13(17)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-12H,1H3/b8-7+

$$$$
C18H20
  cdxl160008151705012D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.8580    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8580   -0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721   -0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1721    0.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1709   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5138   -0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -0.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1997   -0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427   -0.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1997   -0.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2009    0.5221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0036    0.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5427    0.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3982    0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 15 16  1  0        0
 15 17  1  0        0
 15 18  1  0        0
  1 15  1  0        0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  8  9  1  0        0
  4  7  1  0        0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  15  16  17  18
M  SBL   1  1   4
M  SMT   1 tBu
M  SBV   1   4   -0.3429   -0.1980
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-20

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-tert-butyl-4-(2-phenylethenyl)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(C1=CC=C(/C=C/C2=CC=CC=C2)C=C1)(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H20/c1-18(2,3)17-13-11-16(12-14-17)10-9-15-7-5-4-6-8-15/h4-14H,1-3H3/b10-9+

$$$$
C15H25OP
  cdxl160008151705012D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.2401    0.2178    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029    0.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458    0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4458    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888    0.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317    0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1317    0.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888    0.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7888   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7888   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1317    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401   -0.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5830   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1029   -0.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401   -0.8118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2401    0.6138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
  9 12  1  0        0
  9 11  1  0        0
  1  9  1  0        0
 13 14  1  0        0
 13 16  1  0        0
 13 15  1  0        0
  1 13  1  0        0
  1 17  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-21

>  <PUBCHEM_SUBSTANCE_SYNONYM>
di-tert-butylbenzylphosphine oxide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(P(CC1=CC=CC=C1)(C(C)(C)C)=O)(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H25OP/c1-14(2,3)17(16,15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3

$$$$
C27H37OP
  cdxl160008151705012D

 29 35  0  0  0  0  0  0  0  0999 V2000
   -0.0316   -0.1589    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.3114    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3402   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3402   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9973   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6543   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0082    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3414    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794    0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0224    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0224    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794    0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6106    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3365    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7559   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1420   -0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402   -0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1569   -0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5661   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3649   -0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0197   -0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9557   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1664   -0.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
  9 16  1  0        0
 15 17  1  0        0
 11 17  1  0        0
 13 18  1  0        0
  9 18  1  0        0
  1  9  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 19 26  1  0        0
 25 27  1  0        0
 21 27  1  0        0
 23 28  1  0        0
 19 28  1  0        0
  1 19  1  0        0
  1 29  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-22

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Di-1-adamantylbenzylphosphine oxide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=P(C12CC3CC(C2)CC(C3)C1)(C45CC6CC(C5)CC(C6)C4)CC7=CC=CC=C7

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C27H37OP/c28-29(18-19-4-2-1-3-5-19,26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2

$$$$
C19H29OP
  cdxl160008151705012D

 21 23  0  0  0  0  0  0  0  0999 V2000
    0.1786    0.1184    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0194    0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4154    0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2074    0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0094    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134    0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766   -0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786   -0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706   -0.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7726   -0.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215    0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215    0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8645    0.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074    0.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2074    0.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8645    0.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1644   -0.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
  9 14  1  0        0
  1  9  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 15 20  1  0        0
  1 15  1  0        0
  1 21  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-23

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Dicyclohexylbenzylphosphine oxide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=P(C1CCCCC1)(C2CCCCC2)CC3=CC=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H29OP/c20-21(18-12-6-2-7-13-18,19-14-8-3-9-15-19)16-17-10-4-1-5-11-17/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2

$$$$
C15H24NaO4PS
  cdxl160008151705012D

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.5239    1.0497    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.6322   -0.0201    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   -0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396   -0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9752   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0825    0.5739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    0.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243    0.7712    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 19 20  2  0        0
 19 21  2  0        0
 19 22  1  0        0
  7 19  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  2  3  1  0        0
 10 11  1  0        0
 10 13  1  0        0
 10 12  1  0        0
  2 10  1  0        0
 14 15  1  0        0
 14 17  1  0        0
 14 16  1  0        0
  2 14  1  0        0
  2 18  2  0        0
M  CHG  2   1   1  22  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  19  20  21  22
M  SBL   1  1   4
M  SMT   1 SO3
M  SBV   1   4   -0.3429   -0.1980
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-24

>  <PUBCHEM_SUBSTANCE_SYNONYM>
sulfonated di-tert-butylbenzylphosphine oxide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(P(CC1=CC=C(S(=O)([O-])=O)C=C1)(C(C)(C)C)=O)(C)C.[Na+]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H25O4PS.Na/c1-14(2,3)20(16,15(4,5)6)11-12-7-9-13(10-8-12)21(17,18)19;/h7-10H,11H2,1-6H3,(H,17,18,19);/q;+1/p-1

$$$$
C27H36NaO4PS
  cdxl160008151705012D

 34 39  0  0  0  0  0  0  0  0999 V2000
    1.7505   -0.3459    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.4419   -0.1589    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4185    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523   -0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672   -0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7753   -0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300   -0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439   -0.5019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728   -0.7529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701   -0.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -1.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -0.9502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 31 32  2  0        0
 31 33  2  0        0
 31 34  1  0        0
  7 31  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  2  3  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 10 17  1  0        0
 16 18  1  0        0
 12 18  1  0        0
 14 19  1  0        0
 10 19  1  0        0
  2 10  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 20 27  1  0        0
 26 28  1  0        0
 22 28  1  0        0
 24 29  1  0        0
 20 29  1  0        0
  2 20  1  0        0
  2 30  2  0        0
M  CHG  2   1   1  34  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  31  32  33  34
M  SBL   1  1   4
M  SMT   1 SO3
M  SBV   1   4   -0.3429    0.1980
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-25

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Sulfonated Di-1-adamantylbenzylphosphine oxide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=P(C12CC3CC(C2)CC(C3)C1)(C45CC6CC(C5)CC(C6)C4)CC7=CC=C(S(=O)([O-])=O)C=C7.[Na+]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C27H37O4PS.Na/c28-32(17-18-1-3-25(4-2-18)33(29,30)31,26-11-19-5-20(12-26)7-21(6-19)13-26)27-14-22-8-23(15-27)10-24(9-22)16-27;/h1-4,19-24H,5-17H2,(H,29,30,31);/q;+1/p-1

$$$$
C19H28NaO4PS
  cdxl160008151705012D

 26 27  0  0  0  0  0  0  0  0999 V2000
   -1.6373    0.9629    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.6085    0.0659    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.4105    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0145    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7775    0.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8065   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8065   -0.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4005   -0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -0.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    0.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9514    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    0.6599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6373    0.2639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2656   -0.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735    0.4089    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735    0.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1735    0.8035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681    0.4089    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 23 24  2  0        0
 23 25  2  0        0
 23 26  1  0        0
  7 23  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  2  3  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 10 15  1  0        0
  2 10  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 16 21  1  0        0
  2 16  1  0        0
  2 22  2  0        0
M  CHG  2   1   1  26  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  23  24  25  26
M  SBL   1  1   4
M  SMT   1 ^SO3
M  SBV   1   4    0.3960    0.0000
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-26

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Sulfonated Dicyclohexylbenzylphosphine oxide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=P(C1CCCCC1)(C2CCCCC2)CC3=CC=C(S(=O)([O-])=O)C=C3.[Na+]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H29O4PS.Na/c20-24(17-7-3-1-4-8-17,18-9-5-2-6-10-18)15-16-11-13-19(14-12-16)25(21,22)23;/h11-14,17-18H,1-10,15H2,(H,21,22,23);/q;+1/p-1

$$$$
C15H25P
  cdxl160008151705012D

 16 16  0  0  0  0  0  0  0  0999 V2000
   -0.3429   -0.0990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
  9 12  1  0        0
  9 11  1  0        0
  1  9  1  0        0
 13 14  1  0        0
 13 16  1  0        0
 13 15  1  0        0
  1 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-27

>  <PUBCHEM_SUBSTANCE_SYNONYM>
di-tert-butylbenzylphosphine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(P(C(C)(C)C)CC1=CC=CC=C1)(C)C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H25P/c1-14(2,3)16(15(4,5)6)12-13-10-8-7-9-11-13/h7-11H,12H2,1-6H3

$$$$
C27H37P
  cdxl160008151705012D

 28 34  0  0  0  0  0  0  0  0999 V2000
   -0.1521    0.0057    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439    0.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0359   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8379   -1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -1.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2439   -0.6801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0193    0.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0217    0.9340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3549    1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0359    0.3487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6930    0.1507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6242    0.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3501   -0.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6862   -0.1473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212   -0.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6985   -0.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -1.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127   -0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -0.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6135   -0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6948   -0.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
  9 16  1  0        0
 15 17  1  0        0
 11 17  1  0        0
 13 18  1  0        0
  9 18  1  0        0
  1  9  1  0        0
 19 20  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 19 26  1  0        0
 25 27  1  0        0
 21 27  1  0        0
 23 28  1  0        0
 19 28  1  0        0
  1 19  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-28

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Di-1-adamantylbenzylphosphine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
P(C12CC3CC(C2)CC(C3)C1)(C45CC6CC(C5)CC(C6)C4)CC7=CC=CC=C7

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C27H37P/c1-2-4-19(5-3-1)18-28(26-12-20-6-21(13-26)8-22(7-20)14-26)27-15-23-9-24(16-27)11-25(10-23)17-27/h1-5,20-25H,6-18H2

$$$$
C19H29P
  cdxl160008151705012D

 20 22  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.1980    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  1  2  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
  9 14  1  0        0
  1  9  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 17 18  1  0        0
 18 19  1  0        0
 19 20  1  0        0
 15 20  1  0        0
  1 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-29

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Dicyclohexylbenzylphosphine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
P(C1CCCCC1)(C2CCCCC2)CC3=CC=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C19H29P/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1,4-5,10-11,18-19H,2-3,6-9,12-16H2

$$$$
C15H24NaO3PS
  cdxl160008151705012D

 21 20  0  0  0  0  0  0  0  0999 V2000
    1.5239    1.0497    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.6322   -0.0201    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537   -0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0537    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966    0.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396   -0.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3966   -0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1809   -0.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5239   -0.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -0.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9752   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2893   -0.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0825    0.5739    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8852    0.9156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2798    0.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243    0.7712    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 18 19  2  0        0
 18 20  2  0        0
 18 21  1  0        0
  7 18  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  2  3  1  0        0
 10 11  1  0        0
 10 13  1  0        0
 10 12  1  0        0
  2 10  1  0        0
 14 15  1  0        0
 14 17  1  0        0
 14 16  1  0        0
  2 14  1  0        0
M  CHG  2   1   1  21  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  18  19  20  21
M  SBL   1  1   4
M  SMT   1 SO3
M  SBV   1   4   -0.3429   -0.1980
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-30

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Di-tert-butyl[4-sulfonatobenzyl]phosphine sodium salt

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC(P(C(C)(C)C)CC1=CC=C(S(=O)([O-])=O)C=C1)(C)C.[Na+]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H25O3PS.Na/c1-14(2,3)19(15(4,5)6)11-12-7-9-13(10-8-12)20(16,17)18;/h7-10H,11H2,1-6H3,(H,16,17,18);/q;+1/p-1

$$$$
C27H36NaO3PS
  cdxl160008151705012D

 33 38  0  0  0  0  0  0  0  0999 V2000
    1.7505   -0.3459    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -0.4419   -0.1589    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0990    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869    0.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -0.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9299   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869   -0.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2440   -0.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4161    0.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4185    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7517    1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4327    0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0898    0.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    0.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -0.4638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662   -0.1313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523   -0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505   -0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5672   -0.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3724   -1.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765   -1.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7753   -0.8086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4300   -0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660   -0.4601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2728   -0.7529    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701   -0.4112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755   -1.0947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6146   -0.9502    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 30 31  2  0        0
 30 32  2  0        0
 30 33  1  0        0
  7 30  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  2  3  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  1  0        0
 14 15  1  0        0
 15 16  1  0        0
 16 17  1  0        0
 10 17  1  0        0
 16 18  1  0        0
 12 18  1  0        0
 14 19  1  0        0
 10 19  1  0        0
  2 10  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  1  0        0
 23 24  1  0        0
 24 25  1  0        0
 25 26  1  0        0
 26 27  1  0        0
 20 27  1  0        0
 26 28  1  0        0
 22 28  1  0        0
 24 29  1  0        0
 20 29  1  0        0
  2 20  1  0        0
M  CHG  2   1   1  33  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  30  31  32  33
M  SBL   1  1   4
M  SMT   1 SO3
M  SBV   1   4   -0.3429    0.1980
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-31

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Di-1-adamantyl[4-sulfonatobenzyl]phosphine sodium salt

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=S(C1=CC=C(C=C1)CP(C23CC4CC(C3)CC(C4)C2)C56CC7CC(C6)CC(C7)C5)([O-])=O.[Na+]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C27H37O3PS.Na/c28-32(29,30)25-3-1-18(2-4-25)17-31(26-11-19-5-20(12-26)7-21(6-19)13-26)27-14-22-8-23(15-27)10-24(9-22)16-27;/h1-4,19-24H,5-17H2,(H,28,29,30);/q;+1/p-1

$$$$
C30H48Cl2Na2O6P2PdS2
  cdxl160008151705012D

 45 44  0  0  0  0  0  0  0  0999 V2000
    2.6956    0.2705    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
   -2.6956    1.0319    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.5395   -0.7993    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824   -0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254   -0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2254   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -0.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -0.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5683   -0.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -1.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0093   -1.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522   -1.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3522   -0.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -1.4329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1965   -1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8824   -1.6309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -1.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2909    0.9274    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4956    1.2664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8915    1.2586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0828    0.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    0.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6833    1.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4921    1.5899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962    1.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3426    0.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5338    1.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7385    0.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5472    0.6007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0151    1.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4110    1.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1896    1.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064    1.8289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0480    0.1674    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.0649    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    0.1674    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2542   -0.2053    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    0.1364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515   -0.5471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959   -0.0080    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0793    1.2354    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0716    0.8409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870    1.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4738    1.2277    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
 38 39  2  0        0
 38 40  2  0        0
 38 41  1  0        0
  8 38  1  0        0
 42 43  2  0        0
 42 44  2  0        0
 42 45  1  0        0
 24 42  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
  5 10  2  0        0
  3  4  1  0        0
 11 12  1  0        0
 11 14  1  0        0
 11 13  1  0        0
  3 11  1  0        0
 15 16  1  0        0
 15 18  1  0        0
 15 17  1  0        0
  3 15  1  0        0
 20 21  1  0        0
 21 22  1  0        0
 22 23  2  0        0
 23 24  1  0        0
 24 25  2  0        0
 25 26  1  0        0
 21 26  2  0        0
 19 20  1  0        0
 27 28  1  0        0
 27 30  1  0        0
 27 29  1  0        0
 19 27  1  0        0
 31 32  1  0        0
 31 34  1  0        0
 31 33  1  0        0
 19 31  1  0        0
 35 19  1  0        0
 35  3  1  0        0
 35 36  1  0        0
 35 37  1  0        0
M  CHG  4   1   1   2   1  41  -1  45  -1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  4  38  39  40  41
M  SBL   1  1   4
M  SMT   1 SO3
M  SBV   1   4   -0.3429   -0.1980
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  4  42  43  44  45
M  SBL   2  1   8
M  SMT   2 ^SO3
M  SBV   2   8    0.3959    0.0077
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-32

>  <PUBCHEM_SUBSTANCE_SYNONYM>
Palladium bis(di-tert-butyl[4-sulfonatobenzyl]phosphine) dichloride

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC([P](C(C)(C)C)([Pd](Cl)(Cl)[P](C(C)(C)C)(C(C)(C)C)CC1=CC=C(S(=O)([O-])=O)C=C1)CC2=CC=C(S(=O)([O-])=O)C=C2)(C)C.[Na+].[Na+]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/2C15H25O3PS.2ClH.2Na.Pd/c2*1-14(2,3)19(15(4,5)6)11-12-7-9-13(10-8-12)20(16,17)18;;;;;/h2*7-10H,11H2,1-6H3,(H,16,17,18);2*1H;;;/q;;;;2*+1;+2/p-4

$$$$
C17H16
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.0288    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  3  0        0
  9 10  1  0        0
 11 12  2  0        0
 12 13  1  0        0
  9 13  2  0        0
  8  9  1  0        0
  4  7  1  0        0
 11 14  1  0        0
 14 10  2  0        0
  5 15  1  0        0
  1 16  1  0        0
  3 17  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-33

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,4,6-Trimethyldiphenylacetylene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=C(C#CC2=CC=CC=C2)C(C)=CC(C)=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H16/c1-13-11-14(2)17(15(3)12-13)10-9-16-7-5-4-6-8-16/h4-8,11-12H,1-3H3

$$$$
C15H9F3
  cdxl160008151705012D

 18 19  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.8910    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -1.0890    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.4950    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  7  9  1  0        0
  7 10  1  0        0
  4  7  1  0        0
 11 12  3  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 13 18  2  0        0
 12 13  1  0        0
  1 11  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-34

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(2-Phenylethynyl)-4-trifluoromethylbenzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
FC(C1=CC=C(C#CC2=CC=CC=C2)C=C1)(F)F

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H9F3/c16-15(17,18)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H

$$$$
C13H9N
  cdxl160008151705012D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  3  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  8  9  1  0        0
  1  7  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-35

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(2-Phenylethynyl)pyridine

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

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

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H9N/c1-2-6-12(7-3-1)9-10-13-8-4-5-11-14-13/h1-8,11H

$$$$
C18H12
  cdxl160008151705012D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.3429   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    1.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
  1 10  2  0        0
  5 10  1  0        0
 11 12  3  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 16 17  2  0        0
 17 18  1  0        0
 13 18  2  0        0
 12 13  1  0        0
  1 11  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-36

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(Phenylethynyl)naphthalene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C1(C#CC2=CC=CC=C2)=C3C=CC=CC3=CC=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C18H12/c1-2-7-15(8-3-1)13-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12H

$$$$
C12H8S
  cdxl160008151705012D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.5440    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854    0.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9727    0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    0.4891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9058    0.1949    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010    0.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1419   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  1  5  1  0        0
  6  7  3  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
  8 13  2  0        0
  7  8  1  0        0
  1  6  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-37

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-(Phenylethynyl)thiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C1(C#CC2=CC=CC=C2)=CC=CS1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H8S/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-7,10H

$$$$
C12H8S
  cdxl160008151705012D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.9058    0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5440    0.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5854    0.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9727    0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    0.4891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1419   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4848   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -0.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -0.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707   -0.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8278   -0.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  1  5  1  0        0
  6  7  3  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
  8 13  2  0        0
  7  8  1  0        0
  2  6  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-38

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-(2-Phenylethynyl)thiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

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

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C12H8S/c1-2-4-11(5-3-1)6-7-12-8-9-13-10-12/h1-5,8-10H

$$$$
C16H10S
  cdxl160008151705012D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.3256    0.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928    0.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928    1.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    1.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3376   -0.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8473   -0.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697   -1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7047   -1.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3173   -1.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1950   -0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  1  5  1  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  4  2  0        0
  6  3  2  0        0
 10 11  3  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 12 17  2  0        0
 11 12  1  0        0
  2 10  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-39

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-(Phenylethynyl)benzothiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C1(C#CC2=CC=CC=C2)=CSC3=CC=CC=C13

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H10S/c1-2-6-13(7-3-1)10-11-14-12-17-16-9-5-4-8-15(14)16/h1-9,12H

$$$$
C13H16O
  cdxl160008151705012D

 14 14  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7147    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
 13 14  1  0        0
 10 13  1  0        0
  1  7  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-40

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(4-Methoxyphenyl)-1-hexyne

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCC#CC1=CC=C(OC)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H16O/c1-3-4-5-6-7-12-8-10-13(14-2)11-9-12/h8-11H,3-5H2,1-2H3

$$$$
C13H16
  cdxl160008151705012D

 13 13  0  0  0  0  0  0  0  0999 V2000
    0.3429   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  1  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  8 13  1  0        0
  1  7  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-41

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(2-Methylphenyl)-1-hexyne

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CCCCC#CC1=CC=CC=C1C

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H16/c1-3-4-5-6-10-13-11-8-7-9-12(13)2/h7-9,11H,3-5H2,1-2H3

$$$$
C13H13NO
  cdxl160008151705012D

 15 15  0  0  0  0  0  0  0  0999 V2000
   -1.5433   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.1980    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  3  0        0
  1  7  3  0        0
  8  9  1  0        0
  9 10  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
  8 13  2  0        0
 14 15  1  0        0
 11 14  1  0        0
  6  8  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-42

>  <PUBCHEM_SUBSTANCE_SYNONYM>
6-(4-Methoxyphenyl)-hex-5-ynenitrile

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

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

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H13NO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h7-10H,2-3,5H2,1H3

$$$$
C10H10O2
  cdxl160008151705012D

 12 12  0  0  0  0  0  0  0  0999 V2000
    1.0288    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718   -0.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.3960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0        0
  2  3  1  0        0
  1  4  1  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
  5 10  2  0        0
 11 12  1  0        0
  8 11  1  0        0
  3  5  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-43

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-(4-Methoxyphenyl)propyn-1-ol

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
OC#CCC1=CC=C(OC)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7,11H,3H2,1H3

$$$$
C16H14O2
  cdxl160008151705012D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8862   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8862    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  3  8  2  0        0
  9 10  1  0        0
  6  9  1  0        0
  2  3  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 11 16  2  0        0
 17 18  1  0        0
 14 17  1  0        0
  1 11  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-44

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,2-Bis(4-methoxyphenyl)ethyne

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC=C(C#CC2=CC=C(OC)C=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H14O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h5-12H,1-2H3

$$$$
C13H12O
  cdxl160008151705012D

 14 15  0  0  0  0  0  0  0  0999 V2000
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  1  0        0
  4 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-45

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Methoxybiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC=C(C2=CC=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H12O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3

$$$$
C13H12
  cdxl160008151705012D

 13 14  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  4 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-46

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Methylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=C(C2=CC=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H12/c1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-10H,1H3

$$$$
C13H10F2
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  8 13  1  0        0
  4 14  1  0        0
  2 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-47

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2,4-Difluoro-2'-methylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=CC=C1C2=CC=C(F)C=C2F

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H10F2/c1-9-4-2-3-5-11(9)12-7-6-10(14)8-13(12)15/h2-8H,1H3

$$$$
C14H14O
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
  8 13  1  0        0
 14 15  1  0        0
  4 14  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-48

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Methoxy-2'-methylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC=CC=C1C2=CC=C(OC)C=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H14O/c1-11-5-3-4-6-14(11)12-7-9-13(15-2)10-8-12/h3-10H,1-2H3

$$$$
C16H18
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  1  0        0
 13 16  1  0        0
 13 15  1  0        0
  4 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-49

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Tert-butylbiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

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

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3

$$$$
C17H14O
  cdxl160008151705012D

 18 20  0  0  0  0  0  0  0  0999 V2000
    0.3429   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -1.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    1.0890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    1.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  6  7  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
  1 10  2  0        0
  5 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 11 16  2  0        0
 17 18  1  0        0
 14 17  1  0        0
  1 11  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-50

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-(4-Methoxyphenyl)naphthalene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC=C(C2=C3C=CC=CC3=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C17H14O/c1-18-15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,1H3

$$$$
C15H12OS
  cdxl160008151705012D

 17 19  0  0  0  0  0  0  0  0999 V2000
    0.3256    0.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2838    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0928    1.0770    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.9546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6267    1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2152    0.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6026   -0.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7249   -0.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4600   -0.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0726   -0.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0498   -0.2347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5823   -1.0703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9697   -1.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  1  5  1  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  9  4  2  0        0
  6  3  2  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 10 15  2  0        0
 16 17  1  0        0
 13 16  1  0        0
  2 10  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-51

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3-(4-Methoxyphenyl)benzothiophene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC=C(C2=CSC3=CC=CC=C23)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H12OS/c1-16-12-8-6-11(7-9-12)14-10-17-15-5-3-2-4-13(14)15/h2-10H,1H3

$$$$
C13H12O
  cdxl160008151705012D

 14 15  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  1  0        0
  8  9  2  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
  7 12  2  0        0
  1  7  1  0        0
 13 14  1  0        0
  2 13  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-52

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methoxybiphenyl

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC=CC=C1C2=CC=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3

$$$$
C13H11BrO
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.6930    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  7  8  1  0        0
 10 15  1  0        0
  1  7  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-53

>  <PUBCHEM_SUBSTANCE_SYNONYM>
(2-Bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=CC=C1COC2=CC=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H11BrO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2

$$$$
C13H11ClO
  cdxl160008151705012D

 15 16  0  0  0  0  0  0  0  0999 V2000
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.6930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  7  8  1  0        0
 10 15  1  0        0
  1  7  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-54

>  <PUBCHEM_SUBSTANCE_SYNONYM>
(2-Chlorobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClC1=CC=CC=C1COC2=CC=CC=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H11ClO/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h1-9H,10H2

$$$$
C15H15BrO
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.8910    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  7  8  1  0        0
 10 15  1  0        0
  1  7  1  0        0
  5 16  1  0        0
  3 17  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-55

>  <PUBCHEM_SUBSTANCE_SYNONYM>
3,5-Dimethyl-1-(2-bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=CC=C1COC2=CC(C)=CC(C)=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H15BrO/c1-11-7-12(2)9-14(8-11)17-10-13-5-3-4-6-15(13)16/h3-9H,10H2,1-2H3

$$$$
C14H13BrO2
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.8574    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  8  9  1  0        0
  9 10  1  0        0
 10 11  2  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
  9 14  2  0        0
  7  8  1  0        0
 10 15  1  0        0
  4  7  1  0        0
 16 17  1  0        0
  1 16  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-56

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1-Methoxy-4-(2-bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
BrC1=CC=CC=C1COC2=CC=C(OC)C=C2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H13BrO2/c1-16-12-6-8-13(9-7-12)17-10-11-4-2-3-5-14(11)15/h2-9H,10H2,1H3

$$$$
C13H10BrNO3
  cdxl160008151705012D

 18 19  0  0  0  0  0  0  0  0999 V2000
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.4950    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2003    0.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.2970    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.8910    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  2  0        0
  7  9  1  0        0
  4  7  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 12 17  2  0        0
 10 11  1  0        0
 13 18  1  0        0
  1 10  1  0        0
M  CHG  2   7   1   9  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-57

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Nitro-(2-bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=[N+](C1=CC=C(OCC2=CC=CC=C2Br)C=C1)[O-]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H10BrNO3/c14-13-4-2-1-3-10(13)9-18-12-7-5-11(6-8-12)15(16)17/h1-8H,9H2

$$$$
C13H10BrClO
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.6930    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.6930    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 10 15  2  0        0
  8  9  1  0        0
 11 16  1  0        0
  1  8  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-58

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Chloro-(2-bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClC1=CC=C(OCC2=CC=CC=C2Br)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H10BrClO/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8H,9H2

$$$$
C14H10BrNO
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    0.1715    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.7920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.7920    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  7  8  3  0        0
  4  7  1  0        0
 10 11  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14 15  2  0        0
 15 16  1  0        0
 11 16  2  0        0
  9 10  1  0        0
 12 17  1  0        0
  1  9  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-59

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Cyano-(2-bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=C(OCC2=CC=CC=C2Br)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H10BrNO/c15-14-4-2-1-3-12(14)10-17-13-7-5-11(9-16)6-8-13/h1-8H,10H2

$$$$
C13H10BrFO
  cdxl160008151705012D

 16 17  0  0  0  0  0  0  0  0999 V2000
    0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.6930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3718   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.6930    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  2  0        0
  3  4  1  0        0
  4  5  2  0        0
  5  6  1  0        0
  1  6  2  0        0
  4  7  1  0        0
  9 10  1  0        0
 10 11  1  0        0
 11 12  2  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 10 15  2  0        0
  8  9  1  0        0
 11 16  1  0        0
  1  8  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-60

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Fluoro-(2-bromobenzyloxy)benzene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
FC1=CC=C(OCC2=CC=CC=C2Br)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H10BrFO/c14-13-4-2-1-3-10(13)9-16-12-7-5-11(15)6-8-12/h1-8H,9H2

$$$$
C13H10O
  cdxl160008151705012D

 14 16  0  0  0  0  0  0  0  0999 V2000
    0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0        0
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  5  6  2  0        0
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 12 13  2  0        0
 13 14  1  0        0
 14  2  2  0        0
 11  3  2  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-61

>  <PUBCHEM_SUBSTANCE_SYNONYM>
6H-Benzo[c]chromene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
C1(CO2)=CC=CC=C1C3=C2C=CC=C3

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H10O/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-8H,9H2

$$$$
C14H12O2
  cdxl160008151705012D

 16 18  0  0  0  0  0  0  0  0999 V2000
    0.1715   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8574    0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.7920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  9 10  1  0        0
  1 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14  2  2  0        0
 11  3  2  0        0
 15 16  1  0        0
  6 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-62

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Methoxy-6H-benzo[c]chromene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
COC1=CC(C2=CC=CC=C2CO3)=C3C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H12O2/c1-15-11-6-7-14-13(8-11)12-5-3-2-4-10(12)9-16-14/h2-8H,9H2,1H3

$$$$
C13H9ClO
  cdxl160008151705012D

 15 17  0  0  0  0  0  0  0  0999 V2000
    0.1715   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.6930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.8910    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  9 10  1  0        0
  1 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14  2  2  0        0
 11  3  2  0        0
  6 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-63

>  <PUBCHEM_SUBSTANCE_SYNONYM>
2-Chloro-6H-benzo[c]chromene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
ClC1=CC(C2=CC=CC=C2CO3)=C3C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H9ClO/c14-10-5-6-13-12(7-10)11-4-2-1-3-9(11)8-15-13/h1-7H,8H2

$$$$
C15H14O
  cdxl160008151705012D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.0000   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6859    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3429   -0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0288    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3429    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  9 10  1  0        0
  1 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14  2  2  0        0
 11  3  2  0        0
  7 15  1  0        0
  5 16  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-64

>  <PUBCHEM_SUBSTANCE_SYNONYM>
1,3-Dimethyl-6H-benzo[c]chromene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
CC1=CC2=C(C(C)=C1)C3=CC=CC=C3CO2

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C15H14O/c1-10-7-11(2)15-13-6-4-3-5-12(13)9-16-14(15)8-10/h3-8H,9H2,1-2H3

$$$$
C13H9NO3
  cdxl160008151705012D

 17 19  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.0990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  9 10  1  0        0
  1 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14  2  2  0        0
 11  3  2  0        0
 15 16  2  0        0
 15 17  1  0        0
  8 15  1  0        0
M  CHG  2  15   1  17  -1
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-65

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Nitro-6H-benzo[c]chromene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=[N+](C1=CC=CC2=C1OCC3=CC=CC=C32)[O-]

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C13H9NO3/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-17-13(11)12/h1-7H,8H2

$$$$
C14H9NO
  cdxl160008151705012D

 16 18  0  0  0  0  0  0  0  0999 V2000
   -0.1715   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574    0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003   -0.2970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  1  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  7  8  2  0        0
  8  9  1  0        0
  4  9  2  0        0
  9 10  1  0        0
  1 10  1  0        0
 11 12  1  0        0
 12 13  2  0        0
 13 14  1  0        0
 14  2  2  0        0
 11  3  2  0        0
 15 16  3  0        0
  8 15  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-66

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-Cyano-6H-benzo[c]chromene

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
N#CC1=CC=CC2=C1OCC3=CC=CC=C32

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H9NO/c15-8-10-5-3-7-13-12-6-2-1-4-11(12)9-16-14(10)13/h1-7H,9H2

$$$$
C14H13NO2
  cdxl160008151705012D

 17 18  0  0  0  0  0  0  0  0999 V2000
    1.2003    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8574   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5144    0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2003    0.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433    0.2970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1715   -0.2970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5144   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8574   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5433   -0.2970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0        0
  2  3  1  0        0
  3  4  2  0        0
  4  5  1  0        0
  5  6  2  0        0
  6  7  1  0        0
  2  7  2  0        0
  1  8  2  0        0
  1  9  1  0        0
 11 12  1  0        0
 12 13  1  0        0
 13 14  2  0        0
 14 15  1  0        0
 15 16  2  0        0
 16 17  1  0        0
 12 17  2  0        0
 10 11  1  0        0
  5 10  1  0        0
M  END
>  <PUBCHEM_EXT_DATASOURCE_REGID>
UALIB-67

>  <PUBCHEM_SUBSTANCE_SYNONYM>
4-(Benzyloxy)benzamide

>  <PUBCHEM_SUBSTANCE_COMMENT>
Moore, J. N. Synthesis and application of sterically flexible and water-soluble phosphine ligands in palladium catalysis. Ph.D. Dissertation, The University of Alabama, 2014.

>  <PUBCHEM_EXT_SUBSTANCE_URL>
https://ir.ua.edu/handle/123456789/2050

>  <PUBCHEM_EXT_DATASOURCE_SMILES>
O=C(N)C1=CC=C(OCC2=CC=CC=C2)C=C1

>  <PUBCHEM_EXT_DATASOURCE_INCHI>
InChI=1S/C14H13NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)

$$$$
