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RDKit 2D
18 18 0 0 0 0 0 0 0 0999 V2000
9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.7010 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
6 15 1 0
15 16 1 0
15 17 1 0
15 18 1 0
14 9 1 0
M END
> <DATASOURCE_REGID> (1)
UALIB-923
> <SMILES_RDKIT_2019.09.2> (1)
CCOC(=O)/C(=C\CC1=CC=CC=C1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (1)
InChI=1S/C15H22O2Si/c1-5-17-15(16)14(18(2,3)4)12-11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3/b14-12+
> <SUBSTANCE_COMMENT> (1)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (1)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
15 14 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3481 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
6 9 1 0
9 10 1 0
10 11 1 0
9 12 1 0
12 13 1 0
9 14 1 0
14 15 1 0
M END
> <DATASOURCE_REGID> (2)
UALIB-924
> <SMILES_RDKIT_2019.09.2> (2)
C/C=C(\C(=O)OCC)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (2)
InChI=1S/C12H24O2Si/c1-6-11(12(13)14-7-2)15(8-3,9-4)10-5/h6H,7-10H2,1-5H3/b11-6+
> <SUBSTANCE_COMMENT> (2)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (2)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
13 12 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
6 10 1 0
10 11 1 0
10 12 1 0
10 13 1 0
M END
> <DATASOURCE_REGID> (3)
UALIB-925
> <SMILES_RDKIT_2019.09.2> (3)
CC/C=C(\C(=O)OCC)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (3)
InChI=1S/C10H20O2Si/c1-6-8-9(13(3,4)5)10(11)12-7-2/h8H,6-7H2,1-5H3/b9-8+
> <SUBSTANCE_COMMENT> (3)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (3)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
16 15 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3481 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
6 10 1 0
10 11 1 0
11 12 1 0
10 13 1 0
13 14 1 0
10 15 1 0
15 16 1 0
M END
> <DATASOURCE_REGID> (4)
UALIB-926
> <SMILES_RDKIT_2019.09.2> (4)
CC/C=C(\C(=O)OCC)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (4)
InChI=1S/C13H26O2Si/c1-6-11-12(13(14)15-7-2)16(8-3,9-4)10-5/h11H,6-10H2,1-5H3/b12-11+
> <SUBSTANCE_COMMENT> (4)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (4)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
14 13 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
8 10 1 0
6 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
M END
> <DATASOURCE_REGID> (5)
UALIB-927
> <SMILES_RDKIT_2019.09.2> (5)
CCOC(=O)/C(=C\C(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (5)
InChI=1S/C11H22O2Si/c1-7-13-11(12)10(8-9(2)3)14(4,5)6/h8-9H,7H2,1-6H3/b10-8+
> <SUBSTANCE_COMMENT> (5)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (5)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
16 15 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.7500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
6 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
M END
> <DATASOURCE_REGID> (6)
UALIB-928
> <SMILES_RDKIT_2019.09.2> (6)
CCOC(=O)/C(=C\C[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (6)
InChI=1S/C12H26O2Si2/c1-8-14-12(13)11(16(5,6)7)9-10-15(2,3)4/h9H,8,10H2,1-7H3/b11-9+
> <SUBSTANCE_COMMENT> (6)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (6)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 18 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.7500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3481 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
6 13 1 0
13 14 1 0
14 15 1 0
13 16 1 0
16 17 1 0
13 18 1 0
18 19 1 0
M END
> <DATASOURCE_REGID> (7)
UALIB-929
> <SMILES_RDKIT_2019.09.2> (7)
CCOC(=O)/C(=C\C[Si](C)(C)C)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (7)
InChI=1S/C15H32O2Si2/c1-8-17-15(16)14(12-13-18(5,6)7)19(9-2,10-3)11-4/h12H,8-11,13H2,1-7H3/b14-12+
> <SUBSTANCE_COMMENT> (7)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (7)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
17 16 0 0 0 0 0 0 0 0999 V2000
-4.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.7500 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.0490 -0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5490 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
7 9 1 0
9 10 1 0
10 11 1 0
10 12 1 0
10 13 1 0
6 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
M END
> <DATASOURCE_REGID> (8)
UALIB-930
> <SMILES_RDKIT_2019.09.2> (8)
CCOC(=O)/C(=C(/C)C[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (8)
InChI=1S/C13H28O2Si2/c1-9-15-13(14)12(17(6,7)8)11(2)10-16(3,4)5/h9-10H2,1-8H3/b12-11+
> <SUBSTANCE_COMMENT> (8)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (8)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
13 12 0 0 0 0 0 0 0 0999 V2000
-5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-1.2990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
10 11 1 0
10 12 1 0
10 13 1 0
M END
> <DATASOURCE_REGID> (9)
UALIB-931
> <SMILES_RDKIT_2019.09.2> (9)
C/C=C/C(C(=O)OCC)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (9)
InChI=1S/C10H20O2Si/c1-6-8-9(13(3,4)5)10(11)12-7-2/h6,8-9H,7H2,1-5H3/b8-6+
> <SUBSTANCE_COMMENT> (9)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (9)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 18 0 0 0 0 0 0 0 0999 V2000
9.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 0.0000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
6 15 1 0
15 16 1 0
15 17 1 0
15 18 1 0
14 9 1 0
M END
> <DATASOURCE_REGID> (10)
UALIB-932
> <SMILES_RDKIT_2019.09.2> (10)
CCOC(=O)C(/C=C/C1=CC=CC=C1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (10)
InChI=1S/C15H22O2Si/c1-5-17-15(16)14(18(2,3)4)12-11-13-9-7-6-8-10-13/h6-12,14H,5H2,1-4H3/b12-11+
> <SUBSTANCE_COMMENT> (10)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (10)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
12 11 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
M END
> <DATASOURCE_REGID> (11)
UALIB-933
> <SMILES_RDKIT_2019.09.2> (11)
C=CC(C(=O)OCC)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (11)
InChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h6,8H,1,7H2,2-5H3
> <SUBSTANCE_COMMENT> (11)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (11)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
15 14 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4462 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9462 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
6 9 1 0
9 10 1 0
10 11 1 0
9 12 1 0
12 13 1 0
9 14 1 0
14 15 1 0
M END
> <DATASOURCE_REGID> (12)
UALIB-934
> <SMILES_RDKIT_2019.09.2> (12)
C=CC(C(=O)OCC)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (12)
InChI=1S/C12H24O2Si/c1-6-11(12(13)14-7-2)15(8-3,9-4)10-5/h6,11H,1,7-10H2,2-5H3
> <SUBSTANCE_COMMENT> (12)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (12)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
16 15 0 0 0 0 0 0 0 0999 V2000
-5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-1.2990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
6 10 1 0
10 11 1 0
11 12 1 0
10 13 1 0
13 14 1 0
10 15 1 0
15 16 1 0
M END
> <DATASOURCE_REGID> (13)
UALIB-935
> <SMILES_RDKIT_2019.09.2> (13)
C/C=C/C(C(=O)OCC)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (13)
InChI=1S/C13H26O2Si/c1-6-11-12(13(14)15-7-2)16(8-3,9-4)10-5/h6,11-12H,7-10H2,1-5H3/b11-6+
> <SUBSTANCE_COMMENT> (13)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (13)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
14 13 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 3
8 9 1 0
8 10 1 0
6 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
M END
> <DATASOURCE_REGID> (14)
UALIB-936
> <SMILES_RDKIT_2019.09.2> (14)
CCOC(=O)C(C=C(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (14)
InChI=1S/C11H22O2Si/c1-7-13-11(12)10(8-9(2)3)14(4,5)6/h8,10H,7H2,1-6H3
> <SUBSTANCE_COMMENT> (14)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (14)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
16 15 0 0 0 0 0 0 0 0999 V2000
-5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-1.2990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
6 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
M END
> <DATASOURCE_REGID> (15)
UALIB-937
> <SMILES_RDKIT_2019.09.2> (15)
CCOC(=O)C(/C=C/[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (15)
InChI=1S/C12H26O2Si2/c1-8-14-12(13)11(16(5,6)7)9-10-15(2,3)4/h9-11H,8H2,1-7H3/b10-9+
> <SUBSTANCE_COMMENT> (15)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (15)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 18 0 0 0 0 0 0 0 0999 V2000
-5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-1.2990 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 -4.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
6 13 1 0
13 14 1 0
14 15 1 0
13 16 1 0
16 17 1 0
13 18 1 0
18 19 1 0
M END
> <DATASOURCE_REGID> (16)
UALIB-938
> <SMILES_RDKIT_2019.09.2> (16)
CCOC(=O)C(/C=C/[Si](C)(C)C)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (16)
InChI=1S/C15H32O2Si2/c1-8-17-15(16)14(12-13-18(5,6)7)19(9-2,10-3)11-4/h12-14H,8-11H2,1-7H3/b13-12+
> <SUBSTANCE_COMMENT> (16)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (16)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
16 15 0 0 0 0 0 0 0 0999 V2000
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
4 10 2 0
10 11 1 0
11 12 2 0
10 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
M END
> <DATASOURCE_REGID> (17)
UALIB-939
> <SMILES_RDKIT_2019.09.2> (17)
C=C/C(=C(/OCC)O[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (17)
InChI=1S/C12H26O2Si2/c1-9-11(15(3,4)5)12(13-10-2)14-16(6,7)8/h9H,1,10H2,2-8H3/b12-11+
> <SUBSTANCE_COMMENT> (17)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (17)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 18 0 0 0 0 0 0 0 0999 V2000
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8481 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
4 10 2 0
10 11 1 0
11 12 2 0
10 13 1 0
13 14 1 0
14 15 1 0
13 16 1 0
16 17 1 0
13 18 1 0
18 19 1 0
M END
> <DATASOURCE_REGID> (18)
UALIB-940
> <SMILES_RDKIT_2019.09.2> (18)
C=C/C(=C(/OCC)O[Si](C)(C)C)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (18)
InChI=1S/C15H32O2Si2/c1-9-14(19(11-3,12-4)13-5)15(16-10-2)17-18(6,7)8/h9H,1,10-13H2,2-8H3/b15-14+
> <SUBSTANCE_COMMENT> (18)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (18)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
17 16 0 0 0 0 0 0 0 0999 V2000
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
4 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
10 14 1 0
14 15 1 0
14 16 1 0
14 17 1 0
M END
> <DATASOURCE_REGID> (19)
UALIB-941
> <SMILES_RDKIT_2019.09.2> (19)
C/C=C/C(=C(/OCC)O[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (19)
InChI=1S/C13H28O2Si2/c1-9-11-12(16(3,4)5)13(14-10-2)15-17(6,7)8/h9,11H,10H2,1-8H3/b11-9+,13-12+
> <SUBSTANCE_COMMENT> (19)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (19)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
20 19 0 0 0 0 0 0 0 0999 V2000
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8481 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 3.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
4 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
10 14 1 0
14 15 1 0
15 16 1 0
14 17 1 0
17 18 1 0
14 19 1 0
19 20 1 0
M END
> <DATASOURCE_REGID> (20)
UALIB-942
> <SMILES_RDKIT_2019.09.2> (20)
C/C=C/C(=C(/OCC)O[Si](C)(C)C)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (20)
InChI=1S/C16H34O2Si2/c1-9-14-15(20(11-3,12-4)13-5)16(17-10-2)18-19(6,7)8/h9,14H,10-13H2,1-8H3/b14-9+,16-15+
> <SUBSTANCE_COMMENT> (20)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (20)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
20 19 0 0 0 0 0 0 0 0999 V2000
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
5.7990 -1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2010 -3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
4 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
10 17 1 0
17 18 1 0
17 19 1 0
17 20 1 0
M END
> <DATASOURCE_REGID> (21)
UALIB-943
> <SMILES_RDKIT_2019.09.2> (21)
CCO/C(O[Si](C)(C)C)=C(/C=C/[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (21)
InChI=1S/C15H34O2Si3/c1-11-16-15(17-20(8,9)10)14(19(5,6)7)12-13-18(2,3)4/h12-13H,11H2,1-10H3/b13-12+,15-14+
> <SUBSTANCE_COMMENT> (21)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (21)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 17 0 0 0 0 0 0 0 0999 V2000
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
-2.2500 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 1.2990 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
3.5490 0.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9510 2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
6 8 1 0
6 9 1 0
4 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
12 14 1 0
10 15 1 0
15 16 1 0
15 17 1 0
15 18 1 0
M END
> <DATASOURCE_REGID> (22)
UALIB-944
> <SMILES_RDKIT_2019.09.2> (22)
CCO/C(O[Si](C)(C)C)=C(/C=C(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (22)
InChI=1S/C14H30O2Si2/c1-10-15-14(16-18(7,8)9)13(11-12(2)3)17(4,5)6/h11H,10H2,1-9H3/b14-13+
> <SUBSTANCE_COMMENT> (22)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (22)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
15 14 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
7 10 1 0
10 11 1 0
6 12 1 0
12 13 1 0
12 14 1 0
12 15 1 0
M END
> <DATASOURCE_REGID> (23)
UALIB-945
> <SMILES_RDKIT_2019.09.2> (23)
CCOC(=O)C(C(CC)CC)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (23)
InChI=1S/C12H26O2Si/c1-7-10(8-2)11(15(4,5)6)12(13)14-9-3/h10-11H,7-9H2,1-6H3
> <SUBSTANCE_COMMENT> (23)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (23)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
14 13 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
7 9 1 0
9 10 1 0
6 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
M END
> <DATASOURCE_REGID> (24)
UALIB-946
> <SMILES_RDKIT_2019.09.2> (24)
CCOC(=O)C(C(C)CC)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (24)
InChI=1S/C11H24O2Si/c1-7-9(3)10(14(4,5)6)11(12)13-8-2/h9-10H,7-8H2,1-6H3
> <SUBSTANCE_COMMENT> (24)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (24)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 17 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.0442 4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5442 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 6
8 9 1 0
7 10 1 0
10 11 1 0
11 12 1 0
11 13 1 0
11 14 1 0
6 15 1 0
15 16 1 0
15 17 1 0
15 18 1 0
M END
> <DATASOURCE_REGID> (25)
UALIB-947
> <SMILES_RDKIT_2019.09.2> (25)
CCOC(=O)[C@H]([C@@H](CC)C[Si](C)(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (25)
InChI=1S/C14H32O2Si2/c1-9-12(11-17(3,4)5)13(18(6,7)8)14(15)16-10-2/h12-13H,9-11H2,1-8H3/t12-,13-/m0/s1
> <SUBSTANCE_COMMENT> (25)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (25)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
20 20 0 0 0 0 0 0 0 0999 V2000
3.0000 -7.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -6.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -5.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -3.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
1.5000 -4.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 1
6 7 1 0
7 8 1 6
8 9 1 0
7 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
6 17 1 0
17 18 1 0
17 19 1 0
17 20 1 0
16 11 1 0
M END
> <DATASOURCE_REGID> (26)
UALIB-948
> <SMILES_RDKIT_2019.09.2> (26)
CCOC(=O)[C@H]([C@@H](CC)CC1=CC=CC=C1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (26)
InChI=1S/C17H28O2Si/c1-6-15(13-14-11-9-8-10-12-14)16(20(3,4)5)17(18)19-7-2/h8-12,15-16H,6-7,13H2,1-5H3/t15-,16-/m0/s1
> <SUBSTANCE_COMMENT> (26)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (26)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 17 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4462 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9462 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
7 10 1 0
10 11 1 0
6 12 1 0
12 13 1 0
13 14 1 0
12 15 1 0
15 16 1 0
12 17 1 0
17 18 1 0
M END
> <DATASOURCE_REGID> (27)
UALIB-949
> <SMILES_RDKIT_2019.09.2> (27)
CCOC(=O)C(C(CC)CC)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (27)
InChI=1S/C15H32O2Si/c1-7-13(8-2)14(15(16)17-9-3)18(10-4,11-5)12-6/h13-14H,7-12H2,1-6H3
> <SUBSTANCE_COMMENT> (27)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (27)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
16 15 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 6
8 9 1 0
7 10 1 0
10 11 1 0
10 12 1 0
6 13 1 0
13 14 1 0
13 15 1 0
13 16 1 0
M END
> <DATASOURCE_REGID> (28)
UALIB-950
> <SMILES_RDKIT_2019.09.2> (28)
CCOC(=O)[C@H]([C@@H](CC)C(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (28)
InChI=1S/C13H28O2Si/c1-8-11(10(3)4)12(16(5,6)7)13(14)15-9-2/h10-12H,8-9H2,1-7H3/t11-,12-/m0/s1
> <SUBSTANCE_COMMENT> (28)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (28)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 18 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
7.0442 4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5442 1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 1
8 9 1 0
9 10 1 0
9 11 1 0
9 12 1 0
7 13 1 0
13 14 1 0
13 15 1 0
6 16 1 0
16 17 1 0
16 18 1 0
16 19 1 0
M END
> <DATASOURCE_REGID> (29)
UALIB-951
> <SMILES_RDKIT_2019.09.2> (29)
CCOC(=O)[C@H]([C@@H](C[Si](C)(C)C)C(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (29)
InChI=1S/C15H34O2Si2/c1-10-17-15(16)14(19(7,8)9)13(12(2)3)11-18(4,5)6/h12-14H,10-11H2,1-9H3/t13-,14-/m0/s1
> <SUBSTANCE_COMMENT> (29)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (29)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 18 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0933 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4462 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9462 -2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 6
8 9 1 0
7 10 1 0
10 11 1 0
10 12 1 0
6 13 1 0
13 14 1 0
14 15 1 0
13 16 1 0
16 17 1 0
13 18 1 0
18 19 1 0
M END
> <DATASOURCE_REGID> (30)
UALIB-952
> <SMILES_RDKIT_2019.09.2> (30)
CCOC(=O)[C@H]([C@@H](CC)C(C)C)[Si](CC)(CC)CC
> <INCHI_1.05_RDKIT_2019.09.2> (30)
InChI=1S/C16H34O2Si/c1-8-14(13(6)7)15(16(17)18-9-2)19(10-3,11-4)12-5/h13-15H,8-12H2,1-7H3/t14-,15-/m0/s1
> <SUBSTANCE_COMMENT> (30)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (30)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
15 14 0 0 0 0 0 0 0 0999 V2000
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4952 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7942 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -1.5000 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
6.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 6
7 9 1 0
9 10 1 0
9 11 1 0
6 12 1 0
12 13 1 0
12 14 1 0
12 15 1 0
M END
> <DATASOURCE_REGID> (31)
UALIB-953
> <SMILES_RDKIT_2019.09.2> (31)
CCOC(=O)[C@H]([C@@H](C)C(C)C)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (31)
InChI=1S/C12H26O2Si/c1-8-14-12(13)11(15(5,6)7)10(4)9(2)3/h9-11H,8H2,1-7H3/t10-,11-/m0/s1
> <SUBSTANCE_COMMENT> (31)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (31)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 19 0 0 0 0 0 0 0 0999 V2000
8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 1
8 9 1 0
7 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
6 16 1 0
16 17 1 0
16 18 1 0
16 19 1 0
15 10 1 0
M END
> <DATASOURCE_REGID> (32)
UALIB-954
> <SMILES_RDKIT_2019.09.2> (32)
CCOC(=O)[C@H]([C@@H](CC)C1=CC=CC=C1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (32)
InChI=1S/C16H26O2Si/c1-6-14(13-11-9-8-10-12-13)15(19(3,4)5)16(17)18-7-2/h8-12,14-15H,6-7H2,1-5H3/t14-,15-/m0/s1
> <SUBSTANCE_COMMENT> (32)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (32)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 18 0 0 0 0 0 0 0 0999 V2000
8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 1
7 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
6 15 1 0
15 16 1 0
15 17 1 0
15 18 1 0
14 9 1 0
M END
> <DATASOURCE_REGID> (33)
UALIB-955
> <SMILES_RDKIT_2019.09.2> (33)
CCOC(=O)[C@H]([C@@H](C)C1=CC=CC=C1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (33)
InChI=1S/C15H24O2Si/c1-6-17-15(16)14(18(3,4)5)12(2)13-10-8-7-9-11-13/h7-12,14H,6H2,1-5H3/t12-,14-/m0/s1
> <SUBSTANCE_COMMENT> (33)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (33)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
19 19 0 0 0 0 0 0 0 0999 V2000
8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 1
8 9 1 0
7 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
6 16 1 0
16 17 1 0
16 18 1 0
16 19 1 0
15 10 1 0
M END
> <DATASOURCE_REGID> (34)
UALIB-956
> <SMILES_RDKIT_2019.09.2> (34)
CCOC(=O)[C@H]([C@@H](CC)C1CCCCC1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (34)
InChI=1S/C16H32O2Si/c1-6-14(13-11-9-8-10-12-13)15(19(3,4)5)16(17)18-7-2/h13-15H,6-12H2,1-5H3/t14-,15-/m0/s1
> <SUBSTANCE_COMMENT> (34)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (34)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 18 0 0 0 0 0 0 0 0999 V2000
8.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 2.5981 0.0000 Si 0 0 0 0 0 4 0 0 0 0 0 0
4.2990 3.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7010 1.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
6 4 1 6
6 7 1 0
7 8 1 1
7 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
6 15 1 0
15 16 1 0
15 17 1 0
15 18 1 0
14 9 1 0
M END
> <DATASOURCE_REGID> (35)
UALIB-957
> <SMILES_RDKIT_2019.09.2> (35)
CCOC(=O)[C@H]([C@@H](C)C1CCCCC1)[Si](C)(C)C
> <INCHI_1.05_RDKIT_2019.09.2> (35)
InChI=1S/C15H30O2Si/c1-6-17-15(16)14(18(3,4)5)12(2)13-10-8-7-9-11-13/h12-14H,6-11H2,1-5H3/t12-,14-/m0/s1
> <SUBSTANCE_COMMENT> (35)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (35)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
17 17 0 0 0 0 0 0 0 0999 V2000
9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
6 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 12 1 0
M END
> <DATASOURCE_REGID> (36)
UALIB-958
> <SMILES_RDKIT_2019.09.2> (36)
CC/C=C(/C=C/C1=CC=CC=C1)C(=O)OCC
> <INCHI_1.05_RDKIT_2019.09.2> (36)
InChI=1S/C15H18O2/c1-3-8-14(15(16)17-4-2)12-11-13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3/b12-11+,14-8-
> <SUBSTANCE_COMMENT> (36)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (36)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
18 18 0 0 0 0 0 0 0 0999 V2000
9.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
6 15 2 0
15 16 1 0
16 17 1 0
16 18 1 0
14 9 1 0
M END
> <DATASOURCE_REGID> (37)
UALIB-959
> <SMILES_RDKIT_2019.09.2> (37)
CCOC(=O)C(=C\C(C)C)/C=C/C1=CC=CC=C1
> <INCHI_1.05_RDKIT_2019.09.2> (37)
InChI=1S/C16H20O2/c1-4-18-16(17)15(12-13(2)3)11-10-14-8-6-5-7-9-14/h5-13H,4H2,1-3H3/b11-10+,15-12-
> <SUBSTANCE_COMMENT> (37)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (37)
https://ir.ua.edu/handle/123456789/3547
$$$$
RDKit 2D
13 12 0 0 0 0 0 0 0 0999 V2000
-4.5000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 -1.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7500 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2500 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
6 10 1 0
10 11 2 0
11 12 1 0
11 13 1 0
M END
> <DATASOURCE_REGID> (38)
UALIB-960
> <SMILES_RDKIT_2019.09.2> (38)
CC/C=C(/C=C(C)C)C(=O)OCC
> <INCHI_1.05_RDKIT_2019.09.2> (38)
InChI=1S/C11H18O2/c1-5-7-10(8-9(3)4)11(12)13-6-2/h7-8H,5-6H2,1-4H3/b10-7-
> <SUBSTANCE_COMMENT> (38)
Johnson, D.A. Synthetic applications of (E)-alpha-trialkylsilyl-alpha,beta-unsaturated esters. Ph.D. Thesis, The University of Alabama, 2017.
> <SUBSTANCE_URL> (38)
https://ir.ua.edu/handle/123456789/3547
$$$$
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