Product OPENEYE NAME: [9-bromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
CAS Name: benzoic acid [9-bromo-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: [9-bromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
SYSTEMATIC NAME: [9-bromanyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] benzoate
MOLECULAR FORMULA: C29H33BrO6
MOLECULAR WEIGHT: 557.47272
SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C5=CC=CC=C5)C)O)Br)C
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Product OPENEYE NAME: 3-[[17-(1,5-dimethylhexyl)-7-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]-2-methyl-benzoic acid
CAS Name: 3-[[7-hydroxy-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]oxy-oxomethyl]-2-methylbenzoic acid
IUPAC NAME: 3-[[7-hydroxy-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]oxycarbonyl]-2-methylbenzoic acid
SYSTEMATIC NAME: 3-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-7-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonyl]-2-methyl-benzoic acid
MOLECULAR FORMULA: C36H52O5
MOLECULAR WEIGHT: 564.79508
SMILES: CC1=C(C=CC=C1C(=O)OC2CCC3(C4CCC5(C(C4C(C=C3C2)O)CCC5C(C)CCCC(C)C)C)C)C(=O)O
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Product OPENEYE NAME: 17-(1,5-dimethylhexyl)-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one; succinic acid
CAS Name: butanedioic acid; 3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
IUPAC NAME: butanedioic acid; 3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
SYSTEMATIC NAME: butanedioic acid; 10,13-dimethyl-17-(6-methylheptan-2-yl)-3-oxidanyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one
MOLECULAR FORMULA: C31H50O6
MOLECULAR WEIGHT: 518.7251
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=O)C=C4C3(CCC(C4)O)C)C.C(CC(=O)O)C(=O)O
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Product OPENEYE NAME: 2-[(4-phenylcyclohexyl)amino]acetic acid
CAS Name: 2-[(4-phenylcyclohexyl)amino]acetic acid
IUPAC NAME: 2-[(4-phenylcyclohexyl)amino]acetic acid
SYSTEMATIC NAME: 2-[(4-phenylcyclohexyl)amino]ethanoic acid
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: C1CC(CCC1C2=CC=CC=C2)NCC(=O)O
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Product OPENEYE NAME: tert-butyl 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)-(4-phenylcyclohexyl)amino]acetate
CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[(3-benzoylsulfanyl-2-methylpropanoyl)-(4-phenylcyclohexyl)amino]acetate
SYSTEMATIC NAME: tert-butyl 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoate
MOLECULAR FORMULA: C29H37NO4S
MOLECULAR WEIGHT: 495.67338
SMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)OC(C)(C)C)C2CCC(CC2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)-(4-phenylcyclohexyl)amino]acetic acid; N-cyclohexylcyclohexanamine
CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid; N-cyclohexylcyclohexanamine
IUPAC NAME: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)-(4-phenylcyclohexyl)amino]acetic acid; N-cyclohexylcyclohexanamine
SYSTEMATIC NAME: N-cyclohexylcyclohexanamine; 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoic acid
MOLECULAR FORMULA: C37H52N2O4S
MOLECULAR WEIGHT: 620.88478
SMILES: CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CCC(CC2)C3=CC=CC=C3.C1CCC(CC1)NC2CCCCC2
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Product OPENEYE NAME: 5-benzoylsulfanyl-3-oxo-2-[(4-phenylcyclohexyl)amino]pentanoic acid
CAS Name: 5-(benzoylthio)-3-oxo-2-[(4-phenylcyclohexyl)amino]pentanoic acid
IUPAC NAME: 5-benzoylsulfanyl-3-oxo-2-[(4-phenylcyclohexyl)amino]pentanoic acid
SYSTEMATIC NAME: 3-oxidanylidene-5-(phenylcarbonylsulfanyl)-2-[(4-phenylcyclohexyl)amino]pentanoic acid
MOLECULAR FORMULA: C24H27NO4S
MOLECULAR WEIGHT: 425.54048
SMILES: C1CC(CCC1C2=CC=CC=C2)NC(C(=O)CCSC(=O)C3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: 2-methyl-4-oxo-4-phenyl-3-sulfanyl-butanoic acid
CAS Name: 3-mercapto-2-methyl-4-oxo-4-phenylbutanoic acid
IUPAC NAME: 2-methyl-4-oxo-4-phenyl-3-sulfanylbutanoic acid
SYSTEMATIC NAME: 2-methyl-4-oxidanylidene-4-phenyl-3-sulfanyl-butanoic acid
MOLECULAR FORMULA: C11H12O3S
MOLECULAR WEIGHT: 224.27618
SMILES: CC(C(C(=O)C1=CC=CC=C1)S)C(=O)O
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Product OPENEYE NAME: tert-butyl 2-[3-benzoylsulfanylpropanoyl-(4-phenylcyclohexyl)amino]acetate
CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[3-benzoylsulfanylpropanoyl-(4-phenylcyclohexyl)amino]acetate
SYSTEMATIC NAME: tert-butyl 2-[3-(phenylcarbonylsulfanyl)propanoyl-(4-phenylcyclohexyl)amino]ethanoate
MOLECULAR FORMULA: C28H35NO4S
MOLECULAR WEIGHT: 481.6468
SMILES: CC(C)(C)OC(=O)CN(C1CCC(CC1)C2=CC=CC=C2)C(=O)CCSC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: benzene-1,4-diol; ethanol
CAS Name: benzene-1,4-diol; ethanol
IUPAC NAME: benzene-1,4-diol; ethanol
SYSTEMATIC NAME: benzene-1,4-diol; ethanol
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CCO.C1=CC(=CC=C1O)O
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Product OPENEYE NAME: 1,1-di(cyclopenten-1-yloxy)ethanol hydrate
CAS Name: 1,1-bis(1-cyclopentenyloxy)ethanol hydrate
IUPAC NAME: 1,1-di(cyclopenten-1-yloxy)ethanol hydrate
SYSTEMATIC NAME: 1,1-di(cyclopenten-1-yloxy)ethanol hydrate
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: CC(O)(OC1=CCCC1)OC2=CCCC2.O
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Product OPENEYE NAME: 1,1-di(cyclopenten-1-yloxy)ethanol
CAS Name: 1,1-bis(1-cyclopentenyloxy)ethanol
IUPAC NAME: 1,1-di(cyclopenten-1-yloxy)ethanol
SYSTEMATIC NAME: 1,1-di(cyclopenten-1-yloxy)ethanol
MOLECULAR FORMULA: C12H18O3
MOLECULAR WEIGHT: 210.26952
SMILES: CC(O)(OC1=CCCC1)OC2=CCCC2
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Product OPENEYE NAME: ethyl 2-bis(2-ethoxy-1-methyl-2-oxo-ethoxy)phosphanyloxypropanoate
CAS Name: 2-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]phosphinooxypropanoic acid ethyl ester
IUPAC NAME: ethyl 2-bis[(1-ethoxy-1-oxopropan-2-yl)oxy]phosphanyloxypropanoate
SYSTEMATIC NAME: ethyl 2-bis[(1-ethoxy-1-oxidanylidene-propan-2-yl)oxy]phosphanyloxypropanoate
MOLECULAR FORMULA: C15H27O9P
MOLECULAR WEIGHT: 382.343241
SMILES: CCOC(=O)C(C)OP(OC(C)C(=O)OCC)OC(C)C(=O)OCC
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Product OPENEYE NAME: tritetrahydrothiopyran-3-yl phosphite
CAS Name: phosphorous acid tris(3-thianyl) ester
IUPAC NAME: tris(thian-3-yl) phosphite
SYSTEMATIC NAME: tris(thian-3-yl) phosphite
MOLECULAR FORMULA: C15H27O3PS3
MOLECULAR WEIGHT: 382.541841
SMILES: C1CC(CSC1)OP(OC2CCCSC2)OC3CCCSC3
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Product OPENEYE NAME: 1,3,5-tris(prop-1-ynyl)-1,3,5-triazinane
CAS Name: 1,3,5-tris(prop-1-ynyl)-1,3,5-triazinane
IUPAC NAME: 1,3,5-tris(prop-1-ynyl)-1,3,5-triazinane
SYSTEMATIC NAME: 1,3,5-tris(prop-1-ynyl)-1,3,5-triazinane
MOLECULAR FORMULA: C12H15N3
MOLECULAR WEIGHT: 201.2676
SMILES: CC#CN1CN(CN(C1)C#CC)C#CC
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Product OPENEYE NAME: diethyl 2-bis(3-ethoxy-1-ethoxycarbonyl-3-oxo-propoxy)phosphanyloxybutanedioate
CAS Name: 2-bis[(1,4-diethoxy-1,4-dioxobutan-2-yl)oxy]phosphinooxybutanedioic acid diethyl ester
IUPAC NAME: diethyl 2-bis[(1,4-diethoxy-1,4-dioxobutan-2-yl)oxy]phosphanyloxybutanedioate
SYSTEMATIC NAME: diethyl 2-bis[[1,4-diethoxy-1,4-bis(oxidanylidene)butan-2-yl]oxy]phosphanyloxybutanedioate
MOLECULAR FORMULA: C24H39O15P
MOLECULAR WEIGHT: 598.531221
SMILES: CCOC(=O)CC(C(=O)OCC)OP(OC(CC(=O)OCC)C(=O)OCC)OC(CC(=O)OCC)C(=O)OCC
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Product OPENEYE NAME: 2-ethoxyethyl 2-[3,5-bis[2-(2-ethoxyethoxy)-2-oxo-ethyl]-1,3,5-triazinan-1-yl]acetate
CAS Name: 2-[3,5-bis[2-(2-ethoxyethoxy)-2-oxoethyl]-1,3,5-triazinan-1-yl]acetic acid 2-ethoxyethyl ester
IUPAC NAME: 2-ethoxyethyl 2-[3,5-bis[2-(2-ethoxyethoxy)-2-oxoethyl]-1,3,5-triazinan-1-yl]acetate
SYSTEMATIC NAME: 2-ethoxyethyl 2-[3,5-bis[2-(2-ethoxyethoxy)-2-oxidanylidene-ethyl]-1,3,5-triazinan-1-yl]ethanoate
MOLECULAR FORMULA: C21H39N3O9
MOLECULAR WEIGHT: 477.54906
SMILES: CCOCCOC(=O)CN1CN(CN(C1)CC(=O)OCCOCC)CC(=O)OCCOCC
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Product OPENEYE NAME: pentyl 2-[3,5-bis(2-oxo-2-pentoxy-ethyl)-1,3,5-triazinan-1-yl]acetate
CAS Name: 2-[3,5-bis(2-oxo-2-pentoxyethyl)-1,3,5-triazinan-1-yl]acetic acid pentyl ester
IUPAC NAME: pentyl 2-[3,5-bis(2-oxo-2-pentoxyethyl)-1,3,5-triazinan-1-yl]acetate
SYSTEMATIC NAME: pentyl 2-[3,5-bis(2-oxidanylidene-2-pentoxy-ethyl)-1,3,5-triazinan-1-yl]ethanoate
MOLECULAR FORMULA: C24H45N3O6
MOLECULAR WEIGHT: 471.6306
SMILES: CCCCCOC(=O)CN1CN(CN(C1)CC(=O)OCCCCC)CC(=O)OCCCCC
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Product OPENEYE NAME: 2-chloroethyl 2-[3,5-bis[2-(2-chloroethoxy)-2-oxo-ethyl]-1,3,5-triazinan-1-yl]acetate
CAS Name: 2-[3,5-bis[2-(2-chloroethoxy)-2-oxoethyl]-1,3,5-triazinan-1-yl]acetic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl 2-[3,5-bis[2-(2-chloroethoxy)-2-oxoethyl]-1,3,5-triazinan-1-yl]acetate
SYSTEMATIC NAME: 2-chloroethyl 2-[3,5-bis[2-(2-chloroethyloxy)-2-oxidanylidene-ethyl]-1,3,5-triazinan-1-yl]ethanoate
MOLECULAR FORMULA: C15H24Cl3N3O6
MOLECULAR WEIGHT: 448.72656
SMILES: C1N(CN(CN1CC(=O)OCCCl)CC(=O)OCCCl)CC(=O)OCCCl
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