CAS RN: 54966-52-8
CAS Name: 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
OPENEYE Name: 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
IUPAC Name: 5-(2-oxo-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
SYSTEMATIC NAME: 5-(2-oxidanylidene-3H-1,3,4-oxadiazol-5-yl)-3H-1,3,4-oxadiazol-2-one
MOLECULAR FORMULA: C4H2N4O4
MOLECULAR WEIGHT: 170.08308
SMILES: C1(=NNC(=O)O1)C2=NNC(=O)O2
Structure:
CAS RN: 13354-33-1
CAS Name: 1-[(9,10-dioxo-1-anthracenyl)disulfanyl]anthracene-9,10-dione
OPENEYE Name: 1-[(9,10-dioxo-1-anthryl)disulfanyl]anthracene-9,10-dione
IUPAC Name: 1-[(9,10-dioxoanthracen-1-yl)disulfanyl]anthracene-9,10-dione
SYSTEMATIC NAME: 1-[[9,10-bis(oxidanylidene)anthracen-1-yl]disulfanyl]anthracene-9,10-dione
MOLECULAR FORMULA: C28H14O4S2
MOLECULAR WEIGHT: 478.53836
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)SSC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O
Structure:
CAS RN: 3306-93-2
CAS Name: 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
IUPAC Name: ethyl 6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylate
SYSTEMATIC NAME: ethyl 6,11-bis(oxidanylidene)naphtho[2,3-b]indolizine-12-carboxylate
MOLECULAR FORMULA: C19H13NO4
MOLECULAR WEIGHT: 319.31082
SMILES: CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 21863-84-3
CAS Name: 1,2,4-trichloro-5-[4-nitro-2-(trifluoromethyl)phenoxy]benzene
OPENEYE Name: 1,2,4-trichloro-5-[4-nitro-2-(trifluoromethyl)phenoxy]benzene
IUPAC Name: 1,2,4-trichloro-5-[4-nitro-2-(trifluoromethyl)phenoxy]benzene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-5-[4-nitro-2-(trifluoromethyl)phenoxy]benzene
MOLECULAR FORMULA: C13H5Cl3F3NO3
MOLECULAR WEIGHT: 386.53791
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)OC2=CC(=C(C=C2Cl)Cl)Cl
Structure:
CAS RN: 20198-87-2
CAS Name: 5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanecarboxylic acid methyl ester
OPENEYE Name: methyl 5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-carboxylate
IUPAC Name: methyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylate
SYSTEMATIC NAME: methyl 5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxylate
MOLECULAR FORMULA: C10H11FN2O6
MOLECULAR WEIGHT: 274.202543
SMILES: COC(=O)C1C(CC(O1)N2C=C(C(=O)NC2=O)F)O
Structure:
CAS RN: 20199-75-1
CAS Name: 5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanecarboxylic acid dodecyl ester
OPENEYE Name: dodecyl 5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-carboxylate
IUPAC Name: dodecyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylate
SYSTEMATIC NAME: dodecyl 5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxylate
MOLECULAR FORMULA: C21H33FN2O6
MOLECULAR WEIGHT: 428.494923
SMILES: CCCCCCCCCCCCOC(=O)C1C(CC(O1)N2C=C(C(=O)NC2=O)F)O
Structure:
CAS RN: 20200-22-0
CAS Name: 5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanecarboxylic acid 2-chloroethyl ester
OPENEYE Name: 2-chloroethyl 5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-carboxylate
IUPAC Name: 2-chloroethyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylate
SYSTEMATIC NAME: 2-chloroethyl 5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxylate
MOLECULAR FORMULA: C11H12ClFN2O6
MOLECULAR WEIGHT: 322.674183
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)F)C(=O)OCCCl)O
Structure:
CAS RN: 20198-64-5
CAS Name: 5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-oxolanecarboxylic acid butyl ester
OPENEYE Name: butyl 5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-carboxylate
IUPAC Name: butyl 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolane-2-carboxylate
SYSTEMATIC NAME: butyl 5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxylate
MOLECULAR FORMULA: C13H17FN2O6
MOLECULAR WEIGHT: 316.282283
SMILES: CCCCOC(=O)C1C(CC(O1)N2C=C(C(=O)NC2=O)F)O
Structure:
CAS RN: 33021-62-4
CAS Name: 1-(2-chloroethyl)-3-(1,1-dioxo-3-thiolanyl)urea
OPENEYE Name: 1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)urea
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-chloroethyl)urea
MOLECULAR FORMULA: C7H13ClN2O3S
MOLECULAR WEIGHT: 240.70772
SMILES: C1CS(=O)(=O)CC1NC(=O)NCCCl
Structure:
CAS RN: 1180-60-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H30O6
MOLECULAR WEIGHT: 450.5235
SMILES: COC1=C(C=C2CC3=CC(=C(C=C3CC4=CC(=C(C=C4CC2=C1)OC)OC)OC)OC)OC
Structure:
CAS RN: 3738-01-0
CAS Name: 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
OPENEYE Name: 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
IUPAC Name: 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
SYSTEMATIC NAME: 9-(1,3-benzodioxol-5-yl)-7,8-dimethyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC1CC2=C(C(C1C)C3=CC4=C(C=C3)OCO4)C5=C(C=C2)OCO5
Structure:
CAS RN: 20934-69-4
CAS Name: 4-nitrobenzoic acid [3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxy-4-oxanyl] ester
OPENEYE Name: [3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(p-tolylsulfonyloxy)tetrahydropyran-4-yl] 4-nitrobenzoate
IUPAC Name: [3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxyoxan-4-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [2-(hydroxymethyl)-6-methoxy-5-(4-methylphenyl)sulfonyloxy-3-oxidanyl-oxan-4-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C21H23NO11S
MOLECULAR WEIGHT: 497.47242
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(C(OC2OC)CO)O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 14187-68-9
CAS Name: 4-methylbenzenesulfonic acid (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) ester
OPENEYE Name: (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
IUPAC Name: (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (6-methoxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H24O8S
MOLECULAR WEIGHT: 436.47546
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(C3C(COC(O3)C4=CC=CC=C4)OC2OC)O
Structure:
CAS RN: 4153-14-4
CAS Name: 4-methylbenzenesulfonic acid (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) ester
OPENEYE Name: (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
IUPAC Name: (8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (6-methoxy-8-oxidanyl-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H24O8S
MOLECULAR WEIGHT: 436.47546
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(C3C(COC(O3)C4=CC=CC=C4)OC2OC)O
Structure:
CAS RN: 24332-95-4
CAS Name: acetic acid (4,5,6-triacetyloxy-2-methyl-3-oxanyl) ester
OPENEYE Name: (4,5,6-triacetoxy-2-methyl-tetrahydropyran-3-yl) acetate
IUPAC Name: (4,5,6-triacetyloxy-2-methyloxan-3-yl) acetate
SYSTEMATIC NAME: (4,5,6-triacetyloxy-2-methyl-oxan-3-yl) ethanoate
MOLECULAR FORMULA: C14H20O9
MOLECULAR WEIGHT: 332.3032
SMILES: CC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 2315-39-1
CAS Name: 1,4-dimethyldibenzothiophene 5,5-dioxide
OPENEYE Name: 1,4-dimethyldibenzothiophene 5,5-dioxide
IUPAC Name: 1,4-dimethyldibenzothiophene 5,5-dioxide
SYSTEMATIC NAME: 1,4-dimethyldibenzothiophene 5,5-dioxide
MOLECULAR FORMULA: C14H12O2S
MOLECULAR WEIGHT: 244.30888
SMILES: CC1=C2C3=CC=CC=C3S(=O)(=O)C2=C(C=C1)C
Structure:
CAS RN: 3077-16-5
CAS Name: benzoic acid [3-benzoyloxy-4-hydroxy-5-(phenylmethylthio)-2-oxolanyl]methyl ester
OPENEYE Name: (3-benzoyloxy-5-benzylsulfanyl-4-hydroxy-tetrahydrofuran-2-yl)methyl benzoate
IUPAC Name: (3-benzoyloxy-5-benzylsulfanyl-4-hydroxyoxolan-2-yl)methyl benzoate
SYSTEMATIC NAME: [4-oxidanyl-3-(phenylcarbonyloxy)-5-(phenylmethylsulfanyl)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C26H24O6S
MOLECULAR WEIGHT: 464.53016
SMILES: C1=CC=C(C=C1)CSC2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O
Structure:
CAS RN: 2255-39-2
CAS Name: acetic acid [(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6R,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: C[C@@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
Structure:
CAS RN: 67987-40-0
CAS Name: 2-(2,6-dioxocyclohexyl)acetic acid
OPENEYE Name: 2-(2,6-dioxocyclohexyl)acetic acid
IUPAC Name: 2-(2,6-dioxocyclohexyl)acetic acid
SYSTEMATIC NAME: 2-[2,6-bis(oxidanylidene)cyclohexyl]ethanoic acid
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: C1CC(=O)C(C(=O)C1)CC(=O)O
Structure:
CAS RN: 566-93-8
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H42O
MOLECULAR WEIGHT: 382.62178
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2C=CC4=CC(=O)CCC34C)C
Structure:
CAS RN: 1204-22-4
CAS Name: 2-chloro-1-(2,5-dimethoxyphenyl)ethanone
OPENEYE Name: 2-chloro-1-(2,5-dimethoxyphenyl)ethanone
IUPAC Name: 2-chloro-1-(2,5-dimethoxyphenyl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(2,5-dimethoxyphenyl)ethanone
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: COC1=CC(=C(C=C1)OC)C(=O)CCl
Structure:
CAS RN: 1459-95-6
CAS Name: 4-chloro-N-(2-pyridinyl)benzamide
OPENEYE Name: 4-chloro-N-(2-pyridyl)benzamide
IUPAC Name: 4-chloro-N-pyridin-2-ylbenzamide
SYSTEMATIC NAME: 4-chloranyl-N-pyridin-2-yl-benzamide
MOLECULAR FORMULA: C12H9ClN2O
MOLECULAR WEIGHT: 232.66566
SMILES: C1=CC=NC(=C1)NC(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 90389-37-0
CAS Name: (2,4-dioxo-1H-pyrimidin-6-yl)urea
OPENEYE Name: (2,4-dioxo-1H-pyrimidin-6-yl)urea
IUPAC Name: (2,4-dioxo-1H-pyrimidin-6-yl)urea
SYSTEMATIC NAME: 1-[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]urea
MOLECULAR FORMULA: C5H6N4O3
MOLECULAR WEIGHT: 170.12614
SMILES: C1=C(NC(=O)NC1=O)NC(=O)N
Structure:
CAS RN: 34067-03-3
CAS Name: 1,2,4,5-tetraphenylbenzene
OPENEYE Name: 1,2,4,5-tetraphenylbenzene
IUPAC Name: 1,2,4,5-tetraphenylbenzene
SYSTEMATIC NAME: 1,2,4,5-tetraphenylbenzene
MOLECULAR FORMULA: C30H22
MOLECULAR WEIGHT: 382.49568
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 3383-32-2
CAS Name: 1,2,4,5-tetraphenylbenzene
OPENEYE Name: 1,2,4,5-tetraphenylbenzene
IUPAC Name: 1,2,4,5-tetraphenylbenzene
SYSTEMATIC NAME: 1,2,4,5-tetraphenylbenzene
MOLECULAR FORMULA: C30H22
MOLECULAR WEIGHT: 382.49568
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 7454-54-8
CAS Name: 2-amino-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid
OPENEYE Name: benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid
IUPAC Name: benzyl 2-amino-3-benzylsulfanylpropanoate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanyl-3-(phenylmethylsulfanyl)propanoate
MOLECULAR FORMULA: C24H27NO5S2
MOLECULAR WEIGHT: 473.60488
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CSCC2=CC=CC=C2)N
Structure:
CAS RN: 26506-45-6
CAS Name: 7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
OPENEYE Name: 7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
IUPAC Name: 7-amino-6-oxo-1,2,5-dithiazocane-4-carboxylic acid
SYSTEMATIC NAME: 7-azanyl-6-oxidanylidene-1,2,5-dithiazocane-4-carboxylic acid
MOLECULAR FORMULA: C6H10N2O3S2
MOLECULAR WEIGHT: 222.2852
SMILES: C1C(C(=O)NC(CSS1)C(=O)O)N
Structure:
CAS RN: 42829-13-0
CAS Name: 2-[5-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1-cyclopentenyl]acetic acid
OPENEYE Name: 2-(5-oxo-2-tetralin-6-yl-cyclopenten-1-yl)acetic acid
IUPAC Name: 2-[5-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopenten-1-yl]acetic acid
SYSTEMATIC NAME: 2-[5-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopenten-1-yl]ethanoic acid
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: C1CCC2=C(C1)C=CC(=C2)C3=C(C(=O)CC3)CC(=O)O
Structure:
CAS RN: 59576-26-0
CAS Name: 4-(1H-indol-3-yl)butanenitrile
OPENEYE Name: 4-(1H-indol-3-yl)butanenitrile
IUPAC Name: 4-(1H-indol-3-yl)butanenitrile
SYSTEMATIC NAME: 4-(1H-indol-3-yl)butanenitrile
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1=CC=C2C(=C1)C(=CN2)CCCC#N
Structure:
CAS RN: 4226-39-5
CAS Name: N-(propan-2-ylideneamino)-3-pyridinecarboxamide
OPENEYE Name: N-(isopropylideneamino)pyridine-3-carboxamide
IUPAC Name: N-(propan-2-ylideneamino)pyridine-3-carboxamide
SYSTEMATIC NAME: N-(propan-2-ylideneamino)pyridine-3-carboxamide
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: CC(=NNC(=O)C1=CN=CC=C1)C
Structure:
CAS RN: 15093-31-9
CAS Name: 1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile
OPENEYE Name: 1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile
IUPAC Name: 1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile
SYSTEMATIC NAME: 1-[[2,6-bis(chloranyl)phenyl]methyl]-2H-pyridine-5-carbonitrile
MOLECULAR FORMULA: C13H10Cl2N2
MOLECULAR WEIGHT: 265.1379
SMILES: C1C=CC(=CN1CC2=C(C=CC=C2Cl)Cl)C#N
Structure:
CAS RN: 566-91-6
CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methylheptan-2-yl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C27H42O
MOLECULAR WEIGHT: 382.62178
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34C)C
Structure:
CAS RN: 7605-65-4
CAS Name: acetic acid (17-acetyl-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: (16-acetoxy-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
IUPAC Name: (17-acetyl-16-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: (16-acetyloxy-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) ethanoate
MOLECULAR FORMULA: C25H36O5
MOLECULAR WEIGHT: 416.55034
SMILES: CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C
Structure:
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