Product OPENEYE NAME: [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] ester
IUPAC NAME: [2-(11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-(10,13-dimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)OCC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
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Product OPENEYE NAME: 2-(2-benzylphenoxy)ethyl-dimethyl-ammonium; 3-carboxy-3,5-dihydroxy-5-oxo-pentanoate
CAS Name: 3-carboxy-3,5-dihydroxy-5-oxopentanoate; dimethyl-[2-[2-(phenylmethyl)phenoxy]ethyl]ammonium
IUPAC NAME: 2-(2-benzylphenoxy)ethyl-dimethylazanium; 3-carboxy-3,5-dihydroxy-5-oxopentanoate
SYSTEMATIC NAME: 3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoate; dimethyl-[2-[2-(phenylmethyl)phenoxy]ethyl]azanium
MOLECULAR FORMULA: C23H29NO8
MOLECULAR WEIGHT: 447.47826
SMILES: C[NH+](C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O
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Product OPENEYE NAME: 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: 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: 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: 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)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C
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Product OPENEYE NAME: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H31FO6
MOLECULAR WEIGHT: 434.497743
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)OC(=O)C)C)O)F)C
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CAS Name:
IUPAC NAME:
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MOLECULAR FORMULA: C24H32N2O5
MOLECULAR WEIGHT: 428.52128
SMILES: COC1CC2CN3CCC4=C(C3CC2C(C1OC)C(=O)OC)NC5=C4C=CC(=C5)OC
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Product OPENEYE NAME: 2-[4-(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]ethyl hydrogen sulfate
CAS Name: sulfuric acid 2-[[4-(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]ethyl ester
IUPAC NAME: 2-[4-(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]ethyl hydrogen sulfate
SYSTEMATIC NAME: 2-[4-[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]ethyl hydrogen sulfate
MOLECULAR FORMULA: C26H45NO7S
MOLECULAR WEIGHT: 515.703
SMILES: CC(CCC(=O)NCCOS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
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Product OPENEYE NAME: 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxy-cyclohexanecarboxylic acid
CAS Name: 1,4-bis[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-3,5-dihydroxy-1-cyclohexanecarboxylic acid
IUPAC NAME: 1,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,5-dihydroxycyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 1,4-bis[3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyloxy]-3,5-bis(oxidanyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C25H24O12
MOLECULAR WEIGHT: 516.45086
SMILES: C1C(C(C(CC1(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
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Product OPENEYE NAME: [(3S,17R)-17-(1,5-dimethylhexyl)-1,13-dimethyl-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(3S,17R)-1,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,17R)-1,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(3S,17R)-1,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C34H52O3S
MOLECULAR WEIGHT: 540.83988
SMILES: CC1C[C@@H](CC2=CCC3C(C12)CCC4(C3CC[C@@H]4C(C)CCCC(C)C)C)OS(=O)(=O)C5=CC=C(C=C5)C
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Product OPENEYE NAME: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
CAS Name: nonanoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] nonanoate
MOLECULAR FORMULA: C36H62O2
MOLECULAR WEIGHT: 526.87628
SMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
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Product OPENEYE NAME: (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
CAS Name: (3S,5R,10R,13R,14S,17R)-3-[[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde
IUPAC NAME: (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: (3S,5R,10R,13R,14S,17R)-3-[(2S,5R)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-14-oxidanyl-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C30H44O9
MOLECULAR WEIGHT: 548.66496
SMILES: CC1[C@H](C(C([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O
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Product OPENEYE NAME: 4-[(1R,3S,5S,10R,13R,14S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-one
CAS Name: 4-[(1R,3S,5S,10R,13R,14S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[[(2S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxolanone
IUPAC NAME: 4-[(1R,3S,5S,10R,13R,14S)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
SYSTEMATIC NAME: 4-[(1R,3S,5S,10R,13R,14S)-10-(hydroxymethyl)-13-methyl-3-[(2S,5R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,5,11,14-tetrakis(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
MOLECULAR FORMULA: C29H46O12
MOLECULAR WEIGHT: 586.66834
SMILES: CC1[C@@H](C(C([C@H](O1)O[C@H]2C[C@H]([C@@]3(C4C(CC[C@@]3(C2)O)[C@]5(CCC([C@]5(CC4O)C)C6CC(=O)OC6)O)CO)O)O)O)O
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Product OPENEYE NAME: methylmercury(1+) hydroxide
CAS Name: methylmercury(1+) hydroxide
IUPAC NAME: methylmercury(1+) hydroxide
SYSTEMATIC NAME: methylmercury(1+) hydroxide
MOLECULAR FORMULA: CH4HgO
MOLECULAR WEIGHT: 232.63186
SMILES: C[Hg+].[OH-]
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Product OPENEYE NAME: copper carbonate
CAS Name: copper carbonate
IUPAC NAME: copper carbonate
SYSTEMATIC NAME: copper carbonate
MOLECULAR FORMULA: CCuO3
MOLECULAR WEIGHT: 123.5549
SMILES: C(=O)([O-])[O-].[Cu+2]
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Product OPENEYE NAME: 1,1,2,2-tetrachloroethyl thiohypochlorite
CAS Name: thiohypochlorous acid 1,1,2,2-tetrachloroethyl ester
IUPAC NAME: 1,1,2,2-tetrachloroethyl thiohypochlorite
SYSTEMATIC NAME: 1,1,2,2-tetrakis(chloranyl)ethyl thiohypochlorite
MOLECULAR FORMULA: C2HCl5S
MOLECULAR WEIGHT: 234.35934
SMILES: C(C(SCl)(Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: 2,2-dimethylbutan-1-ol
CAS Name: 2,2-dimethyl-1-butanol
IUPAC NAME: 2,2-dimethylbutan-1-ol
SYSTEMATIC NAME: 2,2-dimethylbutan-1-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCC(C)(C)CO
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Product OPENEYE NAME: 2,2-dimethylpentanoic acid
CAS Name: 2,2-dimethylpentanoic acid
IUPAC NAME: 2,2-dimethylpentanoic acid
SYSTEMATIC NAME: 2,2-dimethylpentanoic acid
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCC(C)(C)C(=O)O
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Product OPENEYE NAME: trimethoxy(methyl)silane
CAS Name: trimethoxy(methyl)silane
IUPAC NAME: trimethoxy(methyl)silane
SYSTEMATIC NAME: trimethoxy(methyl)silane
MOLECULAR FORMULA: C4H12O3Si
MOLECULAR WEIGHT: 136.22178
SMILES: CO[Si](C)(OC)OC
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Product OPENEYE NAME: ferric ammonia citrate
CAS Name: ammonia; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+)
IUPAC NAME: azane; 2-hydroxypropane-1,2,3-tricarboxylate; iron(3+)
SYSTEMATIC NAME: azane; iron(3+); 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H8FeNO7
MOLECULAR WEIGHT: 261.97522
SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.N.[Fe+3]
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Product OPENEYE NAME: 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
CAS Name: 1-[ethoxy-(ethylthio)phosphoryl]oxyethane
IUPAC NAME: 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
SYSTEMATIC NAME: 1-[ethoxy(ethylsulfanyl)phosphoryl]oxyethane
MOLECULAR FORMULA: C6H15O3PS
MOLECULAR WEIGHT: 198.220261
SMILES: CCOP(=O)(OCC)SCC
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