CAS RN: 434-05-9
CAS Name: acetic acid [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CC1=CC(=O)C[C@H]2[C@]1([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)C)C)C
Structure:
CAS RN: 91192-70-0
CAS Name: N4-(4-bromophenyl)-N2-methyl-5-nitrosopyrimidine-2,4,6-triamine
OPENEYE Name: N4-(4-bromophenyl)-N2-methyl-5-nitroso-pyrimidine-2,4,6-triamine
IUPAC Name: 4-N-(4-bromophenyl)-2-N-methyl-5-nitrosopyrimidine-2,4,6-triamine
SYSTEMATIC NAME: N4-(4-bromophenyl)-N2-methyl-5-nitroso-pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C11H11BrN6O
MOLECULAR WEIGHT: 323.14864
SMILES: CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Br)N=O)N
Structure:
CAS RN: 869-93-2
CAS Name: 2-[1-[2-(diaminomethylidene)hydrazinyl]propan-2-ylamino]guanidine
OPENEYE Name: 2-[[2-[2-(diaminomethylene)hydrazino]-1-methyl-ethyl]amino]guanidine
IUPAC Name: 2-[1-[2-(diaminomethylidene)hydrazinyl]propan-2-ylamino]guanidine
SYSTEMATIC NAME: 2-[1-[2-[bis(azanyl)methylidene]hydrazinyl]propan-2-ylamino]guanidine
MOLECULAR FORMULA: C5H16N8
MOLECULAR WEIGHT: 188.23414
SMILES: CC(CNN=C(N)N)NN=C(N)N
Structure:
CAS RN: 869-93-2
CAS Name: 2-[1-[2-(diaminomethylidene)hydrazinyl]propan-2-ylamino]guanidine; sulfuric acid
OPENEYE Name: 2-[[2-[2-(diaminomethylene)hydrazino]-1-methyl-ethyl]amino]guanidine; sulfuric acid
IUPAC Name: 2-[1-[2-(diaminomethylidene)hydrazinyl]propan-2-ylamino]guanidine; sulfuric acid
SYSTEMATIC NAME: 2-[1-[2-[bis(azanyl)methylidene]hydrazinyl]propan-2-ylamino]guanidine; sulfuric acid
MOLECULAR FORMULA: C5H18N8O4S
MOLECULAR WEIGHT: 286.31262
SMILES: CC(CNN=C(N)N)NN=C(N)N.OS(=O)(=O)O
Structure:
CAS RN: 2207-03-6
CAS Name: (1S,3S)-1,3-dimethylcyclohexane
OPENEYE Name: (1S,3S)-1,3-dimethylcyclohexane
IUPAC Name: (1S,3S)-1,3-dimethylcyclohexane
SYSTEMATIC NAME: (1S,3S)-1,3-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@H]1CCC[C@@H](C1)C
Structure:
CAS RN: 72777-36-7
CAS Name: (1R,3S)-1,3-dimethylcyclohexane
OPENEYE Name: (1R,3S)-1,3-dimethylcyclohexane
IUPAC Name: (1R,3S)-1,3-dimethylcyclohexane
SYSTEMATIC NAME: (1R,3S)-1,3-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@@H]1CCC[C@@H](C1)C
Structure:
CAS RN: 638-04-0
CAS Name: (1R,3S)-1,3-dimethylcyclohexane
OPENEYE Name: (1R,3S)-1,3-dimethylcyclohexane
IUPAC Name: (1R,3S)-1,3-dimethylcyclohexane
SYSTEMATIC NAME: (1R,3S)-1,3-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@@H]1CCC[C@@H](C1)C
Structure:
CAS RN: 802-43-7
CAS Name: (1S,2S)-1,2-dimethylcyclohexane
OPENEYE Name: (1S,2S)-1,2-dimethylcyclohexane
IUPAC Name: (1S,2S)-1,2-dimethylcyclohexane
SYSTEMATIC NAME: (1S,2S)-1,2-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@H]1CCCC[C@@H]1C
Structure:
CAS RN: 6876-23-9
CAS Name: (1S,2S)-1,2-dimethylcyclohexane
OPENEYE Name: (1S,2S)-1,2-dimethylcyclohexane
IUPAC Name: (1S,2S)-1,2-dimethylcyclohexane
SYSTEMATIC NAME: (1S,2S)-1,2-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@H]1CCCC[C@@H]1C
Structure:
CAS RN: 822-50-4
CAS Name: (1R,2R)-1,2-dimethylcyclopentane
OPENEYE Name: (1R,2R)-1,2-dimethylcyclopentane
IUPAC Name: (1R,2R)-1,2-dimethylcyclopentane
SYSTEMATIC NAME: (1R,2R)-1,2-dimethylcyclopentane
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: C[C@@H]1CCC[C@H]1C
Structure:
CAS RN: 72072-16-3
CAS Name: 2-[4-[5-[4-(carboxymethyl)phenoxy]pentoxy]phenyl]acetic acid
OPENEYE Name: 2-[4-[5-[4-(carboxymethyl)phenoxy]pentoxy]phenyl]acetic acid
IUPAC Name: 2-[4-[5-[4-(carboxymethyl)phenoxy]pentoxy]phenyl]acetic acid
SYSTEMATIC NAME: 2-[4-[5-[4-(2-hydroxy-2-oxoethyl)phenoxy]pentoxy]phenyl]ethanoic acid
MOLECULAR FORMULA: C21H24O6
MOLECULAR WEIGHT: 372.41166
SMILES: C1=CC(=CC=C1CC(=O)O)OCCCCCOC2=CC=C(C=C2)CC(=O)O
Structure:
CAS RN: 79128-70-4
CAS Name: 2-chloro-1-[4-[2-[4-(2-chloro-1-oxoethyl)phenyl]ethyl]phenyl]ethanone
OPENEYE Name: 2-chloro-1-[4-[2-[4-(2-chloroacetyl)phenyl]ethyl]phenyl]ethanone
IUPAC Name: 2-chloro-1-[4-[2-[4-(2-chloroacetyl)phenyl]ethyl]phenyl]ethanone
SYSTEMATIC NAME: 2-chloranyl-1-[4-[2-[4-(2-chloranylethanoyl)phenyl]ethyl]phenyl]ethanone
MOLECULAR FORMULA: C18H16Cl2O2
MOLECULAR WEIGHT: 335.22444
SMILES: C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=O)CCl)C(=O)CCl
Structure:
CAS RN: 5437-07-0
CAS Name: 1-methoxy-4-[1-(4-methoxyphenyl)prop-1-enyl]benzene
OPENEYE Name: 1-methoxy-4-[1-(4-methoxyphenyl)prop-1-enyl]benzene
IUPAC Name: 1-methoxy-4-[1-(4-methoxyphenyl)prop-1-enyl]benzene
SYSTEMATIC NAME: 1-methoxy-4-[1-(4-methoxyphenyl)prop-1-enyl]benzene
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: CC=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
Structure:
CAS RN: 1070879-82-1
CAS Name: 1,2-bis(4-bromophenyl)ethanone
OPENEYE Name: 1,2-bis(4-bromophenyl)ethanone
IUPAC Name: 1,2-bis(4-bromophenyl)ethanone
SYSTEMATIC NAME: 1,2-bis(4-bromophenyl)ethanone
MOLECULAR FORMULA: C14H10Br2O
MOLECULAR WEIGHT: 354.0366
SMILES: C1=CC(=CC=C1CC(=O)C2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 17577-28-5
CAS Name: acetic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
OPENEYE Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ethanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC(=O)OCC1COC(O1)(C)C
Structure:
CAS RN: 14739-11-8
CAS Name: acetic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
OPENEYE Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ethanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC(=O)OCC1COC(O1)(C)C
Structure:
CAS RN: 395-05-1
CAS Name: 2-(3-fluorophenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(3-fluorophenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(3-fluorophenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(3-fluorophenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C8H7FO3
MOLECULAR WEIGHT: 170.137783
SMILES: C1=CC(=CC(=C1)F)C(C(=O)O)O
Structure:
CAS RN: 5175-87-1
CAS Name: 2-(3-fluorophenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(3-fluorophenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(3-fluorophenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(3-fluorophenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C8H7FO3
MOLECULAR WEIGHT: 170.137783
SMILES: C1=CC(=CC(=C1)F)C(C(=O)O)O
Structure:
CAS RN: 5423-75-6
CAS Name: (1R,2R)-1-methyl-2-propylcyclohexane
OPENEYE Name: (1R,2R)-1-methyl-2-propyl-cyclohexane
IUPAC Name: (1R,2R)-1-methyl-2-propylcyclohexane
SYSTEMATIC NAME: (1R,2R)-1-methyl-2-propyl-cyclohexane
MOLECULAR FORMULA: C10H20
MOLECULAR WEIGHT: 140.2658
SMILES: CCC[C@@H]1CCCC[C@H]1C
Structure:
CAS RN: 7667-60-9
CAS Name: (1S,2S,4S)-1,2,4-trimethylcyclohexane
OPENEYE Name: (1S,2S,4S)-1,2,4-trimethylcyclohexane
IUPAC Name: (1S,2S,4S)-1,2,4-trimethylcyclohexane
SYSTEMATIC NAME: (1S,2S,4S)-1,2,4-trimethylcyclohexane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: C[C@H]1CC[C@@H]([C@H](C1)C)C
Structure:
CAS RN: 7667-55-2
CAS Name: (1S,3S)-1,2,3-trimethylcyclohexane
OPENEYE Name: (1S,3S)-1,2,3-trimethylcyclohexane
IUPAC Name: (1S,3S)-1,2,3-trimethylcyclohexane
SYSTEMATIC NAME: (1S,3S)-1,2,3-trimethylcyclohexane
MOLECULAR FORMULA: C9H18
MOLECULAR WEIGHT: 126.23922
SMILES: C[C@H]1CCC[C@@H](C1C)C
Structure:
CAS RN: 637-50-3
CAS Name: [(E)-prop-1-enyl]benzene
OPENEYE Name: [(E)-prop-1-enyl]benzene
IUPAC Name: [(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C/C=C/C1=CC=CC=C1
Structure:
CAS RN: 873-66-5
CAS Name: [(E)-prop-1-enyl]benzene
OPENEYE Name: [(E)-prop-1-enyl]benzene
IUPAC Name: [(E)-prop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-prop-1-enyl]benzene
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C/C=C/C1=CC=CC=C1
Structure:
CAS RN: 766-90-5
CAS Name: [(Z)-prop-1-enyl]benzene
OPENEYE Name: [(Z)-prop-1-enyl]benzene
IUPAC Name: [(Z)-prop-1-enyl]benzene
SYSTEMATIC NAME: [(Z)-prop-1-enyl]benzene
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: C/C=C\C1=CC=CC=C1
Structure:
CAS RN: 5444-30-4
CAS Name: (1S,2R)-1,2,4-trimethylcyclopentane
OPENEYE Name: (1S,2R)-1,2,4-trimethylcyclopentane
IUPAC Name: (1S,2R)-1,2,4-trimethylcyclopentane
SYSTEMATIC NAME: (1S,2R)-1,2,4-trimethylcyclopentane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@@H]1CC(C[C@@H]1C)C
Structure:
CAS RN: 4850-28-6
CAS Name: (1S,2R)-1,2,4-trimethylcyclopentane
OPENEYE Name: (1S,2R)-1,2,4-trimethylcyclopentane
IUPAC Name: (1S,2R)-1,2,4-trimethylcyclopentane
SYSTEMATIC NAME: (1S,2R)-1,2,4-trimethylcyclopentane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: C[C@@H]1CC(C[C@@H]1C)C
Structure:
CAS RN: 4806-61-5
CAS Name: ethylcyclobutane
OPENEYE Name: ethylcyclobutane
IUPAC Name: ethylcyclobutane
SYSTEMATIC NAME: ethylcyclobutane
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC1CCC1
Structure:
CAS RN: 930-18-7
CAS Name: (1S,2R)-1,2-dimethylcyclopropane
OPENEYE Name: (1S,2R)-1,2-dimethylcyclopropane
IUPAC Name: (1S,2R)-1,2-dimethylcyclopropane
SYSTEMATIC NAME: (1S,2R)-1,2-dimethylcyclopropane
MOLECULAR FORMULA: C5H10
MOLECULAR WEIGHT: 70.1329
SMILES: C[C@@H]1C[C@@H]1C
Structure:
CAS RN: 3137-73-3
CAS Name: acetic acid [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H36O3
MOLECULAR WEIGHT: 372.54084
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=CCCC4)C
Structure:
CAS RN: 29450-06-4
CAS Name: acetic acid [(6S,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-2,6,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: C[C@H]1C=C2[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: 676536-34-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H34O4
MOLECULAR WEIGHT: 398.53506
SMILES: C[C@H]1C[C@@H]2[C@H](CC[C@]3([C@H]2C[C@@H]4[C@]3(OC(O4)(C)C)C(=O)C)C)[C@@]5(C1=CC(=O)C=C5)C
Structure:
CAS RN: 8054-81-7
CAS Name: (3-methoxyphenyl)-(1-piperidinyl)methanone
OPENEYE Name: (3-methoxyphenyl)-(1-piperidyl)methanone
IUPAC Name: (3-methoxyphenyl)-piperidin-1-ylmethanone
SYSTEMATIC NAME: (3-methoxyphenyl)-piperidin-1-yl-methanone
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: COC1=CC=CC(=C1)C(=O)N2CCCCC2
Structure:
CAS RN: 75239-91-7
CAS Name: (8R,9S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,13S,14S,17S)-17-(1-methoxycyclohexoxy)-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C25H38O3
MOLECULAR WEIGHT: 386.56742
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCCC4)OC)CCC5=C3CCC(=O)C5
Structure:
CAS RN: 7599-12-4
CAS Name: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexoxy)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C25H38O3
MOLECULAR WEIGHT: 386.56742
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCCC4)OC)CCC5=CC(=O)CC[C@H]35
Structure:
CAS RN: 7483-09-2
CAS Name: (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexoxy)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (5S,8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C26H40O3
MOLECULAR WEIGHT: 400.594
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCCC4)OC)CC[C@@H]5[C@@]3(C=CC(=O)C5)C
Structure:
CAS RN: 72621-53-5
CAS Name: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexoxy)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-17-(1-methoxycyclohexyl)oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C26H40O3
MOLECULAR WEIGHT: 400.594
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC4(CCCCC4)OC)CCC5=CC(=O)CC[C@]35C
Structure:
CAS RN: 50695-15-3
CAS Name: acetic acid [2-[(4S,5R,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(4S,5R,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(4S,5R,8S,9S,10R,13S,14S,17R)-4-bromo-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(4S,5R,8S,9S,10R,13S,14S,17R)-4-bromanyl-10,13-dimethyl-17-oxidanyl-3,11-bis(oxidanylidene)-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H31BrO6
MOLECULAR WEIGHT: 483.39264
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)[C@H]4Br)C)C)O
Structure:
CAS RN: 10561-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12N2
MOLECULAR WEIGHT: 256.30128
SMILES: C1C2=CC3=CC=CC=C3C=C2C4=NC5=CC=CC=C5N41
Structure:
CAS RN: 2168-17-4
CAS Name: 2,6-bis[(dimethylamino)methyl]-3-pyridinol
OPENEYE Name: 2,6-bis[(dimethylamino)methyl]pyridin-3-ol
IUPAC Name: 2,6-bis[(dimethylamino)methyl]pyridin-3-ol
SYSTEMATIC NAME: 2,6-bis[(dimethylamino)methyl]pyridin-3-ol
MOLECULAR FORMULA: C11H19N3O
MOLECULAR WEIGHT: 209.28806
SMILES: CN(C)CC1=NC(=C(C=C1)O)CN(C)C
Structure:
CAS RN: 451-44-5
CAS Name: (1S,2S,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
OPENEYE Name: (1S,2S,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
IUPAC Name: (1S,2S,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
SYSTEMATIC NAME: (1S,2S,3R,4R)-cyclopentane-1,2,3,4-tetracarboxylic acid
MOLECULAR FORMULA: C9H10O8
MOLECULAR WEIGHT: 246.1709
SMILES: C1[C@H]([C@H]([C@H]([C@H]1C(=O)O)C(=O)O)C(=O)O)C(=O)O
Structure:
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