Product OPENEYE NAME: 2,4-diisopropenyl-1-methyl-1-vinyl-cyclohexane
CAS Name: 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohexane
IUPAC NAME: 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
SYSTEMATIC NAME: 1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
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Product OPENEYE NAME: ethyl benzenesulfonate
CAS Name: benzenesulfonic acid ethyl ester
IUPAC NAME: ethyl benzenesulfonate
SYSTEMATIC NAME: ethyl benzenesulfonate
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: CCOS(=O)(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
CAS Name: 6-methyl-2-(4-methyl-1-cyclohex-3-enyl)-5-hepten-2-ol
IUPAC NAME: 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
SYSTEMATIC NAME: 6-methyl-2-(4-methylcyclohex-3-en-1-yl)hept-5-en-2-ol
MOLECULAR FORMULA: C15H26O
MOLECULAR WEIGHT: 222.36634
SMILES: CC1=CCC(CC1)C(C)(CCC=C(C)C)O
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Product OPENEYE NAME: 2,2,2-trichloro-1-ethoxy-ethanol
CAS Name: 2,2,2-trichloro-1-ethoxyethanol
IUPAC NAME: 2,2,2-trichloro-1-ethoxyethanol
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-1-ethoxy-ethanol
MOLECULAR FORMULA: C4H7Cl3O2
MOLECULAR WEIGHT: 193.45618
SMILES: CCOC(C(Cl)(Cl)Cl)O
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Product OPENEYE NAME: ethyl 2,2,2-trichloroacetate
CAS Name: 2,2,2-trichloroacetic acid ethyl ester
IUPAC NAME: ethyl 2,2,2-trichloroacetate
SYSTEMATIC NAME: ethyl 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C4H5Cl3O2
MOLECULAR WEIGHT: 191.4403
SMILES: CCOC(=O)C(Cl)(Cl)Cl
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Product OPENEYE NAME: ferrous oxalate
CAS Name: iron(2+); oxalate
IUPAC NAME: iron(2+); oxalate
SYSTEMATIC NAME: ethanedioate; iron(2+)
MOLECULAR FORMULA: C2FeO4
MOLECULAR WEIGHT: 143.864
SMILES: C(=O)(C(=O)[O-])[O-].[Fe+2]
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Product OPENEYE NAME: 1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxy-ethanone
CAS Name: 1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone
IUPAC NAME: 1-(3,11-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone
SYSTEMATIC NAME: 1-[10,13-dimethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O)O
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Product OPENEYE NAME: 2-[4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
CAS Name: 2-[[4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid
MOLECULAR FORMULA: C26H45NO6S
MOLECULAR WEIGHT: 499.7036
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
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Product OPENEYE NAME: (17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (17R)-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-oxidanylethanoyl)-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: CC12CCC(=O)CC1CCC3C2C(CC4(C3CC[C@@]4(C(=O)CO)O)C)O
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Product OPENEYE NAME: 1-[(17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone
CAS Name: 1-[(17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
IUPAC NAME: 1-[(17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
SYSTEMATIC NAME: 1-[(17R)-10,13-dimethyl-3,17-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone
MOLECULAR FORMULA: C21H34O4
MOLECULAR WEIGHT: 350.49226
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CC[C@@]4(C(=O)CO)O)C)O
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