Product OPENEYE NAME: 17-hydroxy-2,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
CAS Name: 17-hydroxy-2,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC NAME: 17-hydroxy-2,13,17-trimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 2,13,17-trimethyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC1CC2C3CCC4(C(C3CCC2=CC1=O)CCC4(C)O)C
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
MOLECULAR FORMULA: C11H15N2O8P
MOLECULAR WEIGHT: 334.219161
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N
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Product OPENEYE NAME: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
CAS Name: [(2R,3S,4R,5R)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate
IUPAC NAME: [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C11H16N2O8P+
MOLECULAR WEIGHT: 335.227101
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
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Product OPENEYE NAME: triphenyl borate
CAS Name: triphenyl borate
IUPAC NAME: triphenyl borate
SYSTEMATIC NAME: triphenyl borate
MOLECULAR FORMULA: C18H15BO3
MOLECULAR WEIGHT: 290.1209
SMILES: B(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3
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Product OPENEYE NAME: morpholine; octadec-9-enoic acid
CAS Name: morpholine; 9-octadecenoic acid
IUPAC NAME: morpholine; octadec-9-enoic acid
SYSTEMATIC NAME: morpholine; octadec-9-enoic acid
MOLECULAR FORMULA: C22H43NO3
MOLECULAR WEIGHT: 369.58172
SMILES: CCCCCCCCC=CCCCCCCCC(=O)O.C1COCCN1
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Product OPENEYE NAME: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one hydrochloride
CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone hydrochloride
IUPAC NAME: 6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride
SYSTEMATIC NAME: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one hydrochloride
MOLECULAR FORMULA: C21H28ClNO
MOLECULAR WEIGHT: 345.90612
SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.Cl
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one iodide
CAS Name: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)-1-butanone iodide
IUPAC NAME: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one iodide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one iodide
MOLECULAR FORMULA: C20H29FINO
MOLECULAR WEIGHT: 445.353233
SMILES: C[N+]1(CCC2(CCCC2)CC1)CCCC(=O)C3=CC=C(C=C3)F.[I-]
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one
CAS Name: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)-1-butanone
IUPAC NAME: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one
MOLECULAR FORMULA: C20H29FNO+
MOLECULAR WEIGHT: 318.448763
SMILES: C[N+]1(CCC2(CCCC2)CC1)CCCC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-[(2-hydroxy-1-naphthyl)methyl]naphthalen-2-ol
CAS Name: 1-[(2-hydroxy-1-naphthalenyl)methyl]-2-naphthalenol
IUPAC NAME: 1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
SYSTEMATIC NAME: 1-[(2-oxidanylnaphthalen-1-yl)methyl]naphthalen-2-ol
MOLECULAR FORMULA: C21H16O2
MOLECULAR WEIGHT: 300.35054
SMILES: C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O
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Product OPENEYE NAME: ethyl 2,5-dioxo-4,4-diphenyl-imidazolidine-1-carboxylate
CAS Name: 2,5-dioxo-4,4-diphenyl-1-imidazolidinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 2,5-dioxo-4,4-diphenylimidazolidine-1-carboxylate
SYSTEMATIC NAME: ethyl 2,5-bis(oxidanylidene)-4,4-diphenyl-imidazolidine-1-carboxylate
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: CCOC(=O)N1C(=O)C(NC1=O)(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-pyridin-3-ol
CAS Name: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methyl-3-pyridinol
IUPAC NAME: 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulfanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol
SYSTEMATIC NAME: 4-(hydroxymethyl)-5-[[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyldisulfanyl]methyl]-2-methyl-pyridin-3-ol
MOLECULAR FORMULA: C16H20N2O4S2
MOLECULAR WEIGHT: 368.471
SMILES: CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C
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