Product OPENEYE NAME: 3,5,5-trimethylcyclohex-3-en-1-one
CAS Name: 3,5,5-trimethyl-1-cyclohex-3-enone
IUPAC NAME: 3,5,5-trimethylcyclohex-3-en-1-one
SYSTEMATIC NAME: 3,5,5-trimethylcyclohex-3-en-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC1=CC(CC(=O)C1)(C)C
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Product OPENEYE NAME: 1-chloro-2-(2-chloroethylsulfonyl)ethane
CAS Name: 1-chloro-2-(2-chloroethylsulfonyl)ethane
IUPAC NAME: 1-chloro-2-(2-chloroethylsulfonyl)ethane
SYSTEMATIC NAME: 1-chloranyl-2-(2-chloroethylsulfonyl)ethane
MOLECULAR FORMULA: C4H8Cl2O2S
MOLECULAR WEIGHT: 191.07612
SMILES: C(CCl)S(=O)(=O)CCCl
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Product OPENEYE NAME: prop-2-ynoic acid
CAS Name: 2-propynoic acid
IUPAC NAME: prop-2-ynoic acid
SYSTEMATIC NAME: prop-2-ynoic acid
MOLECULAR FORMULA: C3H2O2
MOLECULAR WEIGHT: 70.04678
SMILES: C#CC(=O)O
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Product OPENEYE NAME: 2-methylguanidine
CAS Name: 2-methylguanidine
IUPAC NAME: 2-methylguanidine
SYSTEMATIC NAME: 2-methylguanidine
MOLECULAR FORMULA: C2H7N3
MOLECULAR WEIGHT: 73.09708
SMILES: CN=C(N)N
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Product OPENEYE NAME: calcium carbonate
CAS Name: calcium carbonate
IUPAC NAME: calcium carbonate
SYSTEMATIC NAME: calcium carbonate
MOLECULAR FORMULA: CCaO3
MOLECULAR WEIGHT: 100.0869
SMILES: C(=O)([O-])[O-].[Ca+2]
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Product OPENEYE NAME: oxamide
CAS Name: oxamide
IUPAC NAME: oxamide
SYSTEMATIC NAME: ethanediamide
MOLECULAR FORMULA: C2H4N2O2
MOLECULAR WEIGHT: 88.06536
SMILES: C(=O)(C(=O)N)N
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Product OPENEYE NAME: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
IUPAC NAME: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
SYSTEMATIC NAME: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
MOLECULAR FORMULA: C30H46O4
MOLECULAR WEIGHT: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
SMILES: C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
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Product OPENEYE NAME: (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-isopropyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
CAS Name: (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
IUPAC NAME: (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
SYSTEMATIC NAME: (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
MOLECULAR FORMULA: C30H52
MOLECULAR WEIGHT: 412.73388
SMILES: CC(C)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
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Product OPENEYE NAME: 1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Name: 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
IUPAC NAME: 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
SYSTEMATIC NAME: 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
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Product OPENEYE NAME: 7-isopropylidene-1,4a-dimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
CAS Name: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
IUPAC NAME: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
SYSTEMATIC NAME: 1,4a-dimethyl-7-propan-2-ylidene-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC(=C1CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C[C@]12CCC[C@@](C1CC[C@@]34C2CC[C@@](C3)(C(=C)C4)O)(C)C(=O)O
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Product OPENEYE NAME: [(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
CAS Name: acetic acid [(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxo-3-pyranyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
IUPAC NAME: [(3S,5R,10S,13R,14S,16S,17R)-3,14-dihydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [(3S,5R,10S,13R,14S,16S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C26H36O6
MOLECULAR WEIGHT: 444.56044
SMILES: CC(=O)O[C@H]1C[C@@]2(C3CC[C@@H]4C[C@H](CC[C@@]4(C3CC[C@@]2([C@H]1C5=COC(=O)C=C5)C)C)O)O
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Product OPENEYE NAME: 5-[(3S,5S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3S,5S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3S,5S,10R,13R,14S,17R)-3,5,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5S,10R,13R,14S,17R)-10,13-dimethyl-3,5,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O
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Product OPENEYE NAME: 2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-1,3,3-trimethyl-cyclohexene
CAS Name: 2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-1,3,3-trimethylcyclohexene
IUPAC NAME: 2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-1,3,3-trimethylcyclohexene
SYSTEMATIC NAME: 2-(3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl)-1,3,3-trimethyl-cyclohexene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C
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