CAS RN: 50-92-0
CAS Name: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-17-triphenylsilyloxy-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)-10,13-dimethyl-17-triphenylsilyloxy-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)-10,13-dimethyl-17-triphenylsilyloxy-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)-10,13-dimethyl-17-triphenylsilyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C37H42O2Si
MOLECULAR WEIGHT: 546.81368
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CCC7=CC(=O)CC[C@]37C
Structure:
CAS RN: 29285-54-9
CAS Name: (8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-17-hydroxy-10,13,17-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-17-hydroxy-10,13,17-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17S)-9,11-dichloro-17-hydroxy-10,13,17-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17S)-9,11-bis(chloranyl)-10,13,17-trimethyl-17-oxidanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H26Cl2O2
MOLECULAR WEIGHT: 369.32524
SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)Cl)C)O
Structure:
CAS RN: 600-17-9
CAS Name: 1-(2,3-dihydroindol-1-yl)butane-1,3-dione
OPENEYE Name: 1-indolin-1-ylbutane-1,3-dione
IUPAC Name: 1-(2,3-dihydroindol-1-yl)butane-1,3-dione
SYSTEMATIC NAME: 1-(2,3-dihydroindol-1-yl)butane-1,3-dione
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC(=O)CC(=O)N1CCC2=CC=CC=C21
Structure:
CAS RN: 431-09-4
CAS Name: 2-chloro-2-fluoroacetamide
OPENEYE Name: 2-chloro-2-fluoro-acetamide
IUPAC Name: 2-chloro-2-fluoroacetamide
SYSTEMATIC NAME: 2-chloranyl-2-fluoranyl-ethanamide
MOLECULAR FORMULA: C2H3ClFNO
MOLECULAR WEIGHT: 111.502723
SMILES: C(C(=O)N)(F)Cl
Structure:
CAS RN: 13143-97-0
CAS Name: 5-amino-2-methoxyoxane-3,4-diol
OPENEYE Name: 5-amino-2-methoxy-tetrahydropyran-3,4-diol
IUPAC Name: 5-amino-2-methoxyoxane-3,4-diol
SYSTEMATIC NAME: 5-azanyl-2-methoxy-oxane-3,4-diol
MOLECULAR FORMULA: C6H13NO4
MOLECULAR WEIGHT: 163.17172
SMILES: COC1C(C(C(CO1)N)O)O
Structure:
CAS RN: 2963-79-3
CAS Name: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol; oxalic acid
OPENEYE Name: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol; oxalic acid
IUPAC Name: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol; oxalic acid
SYSTEMATIC NAME: 3-[2-(dimethylamino)ethyl]-1H-indol-5-ol; ethanedioic acid
MOLECULAR FORMULA: C14H18N2O5
MOLECULAR WEIGHT: 294.30312
SMILES: CN(C)CCC1=CNC2=C1C=C(C=C2)O.C(=O)(C(=O)O)O
Structure:
CAS RN: 152-93-2
CAS Name: 2,6-diamino-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1H-pyrimidin-4-one
OPENEYE Name: 2,6-diamino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1H-pyrimidin-4-one
IUPAC Name: 2,6-diamino-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H16N4O7
MOLECULAR WEIGHT: 304.25664
SMILES: C(C1C(C(C(C(O1)OC2=C(NC(=NC2=O)N)N)O)O)O)O
Structure:
CAS RN: 465-16-7
CAS Name: acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-10,13-dimethyl-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]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Structure:
CAS RN: 559-83-1
CAS Name: acetic acid [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-[(5-hydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [(3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-(4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxy-10,13-dimethyl-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]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C32H48O9
MOLECULAR WEIGHT: 576.71812
SMILES: CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Structure:
CAS RN: 700-91-4
CAS Name: 5-phenyl-3,4-dihydro-2H-pyrrole
OPENEYE Name: 5-phenyl-3,4-dihydro-2H-pyrrole
IUPAC Name: 5-phenyl-3,4-dihydro-2H-pyrrole
SYSTEMATIC NAME: 5-phenyl-3,4-dihydro-2H-pyrrole
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: C1CC(=NC1)C2=CC=CC=C2
Structure:
CAS RN: 1006-64-0
CAS Name: 2-phenylpyrrolidine
OPENEYE Name: 2-phenylpyrrolidine
IUPAC Name: 2-phenylpyrrolidine
SYSTEMATIC NAME: 2-phenylpyrrolidine
MOLECULAR FORMULA: C10H13N
MOLECULAR WEIGHT: 147.21692
SMILES: C1CC(NC1)C2=CC=CC=C2
Structure:
CAS RN: 52662-76-7
CAS Name: 1-amino-3-cyclohexylurea
OPENEYE Name: 1-amino-3-cyclohexyl-urea
IUPAC Name: 1-amino-3-cyclohexylurea
SYSTEMATIC NAME: 1-azanyl-3-cyclohexyl-urea
MOLECULAR FORMULA: C7H15N3O
MOLECULAR WEIGHT: 157.2135
SMILES: C1CCC(CC1)NC(=O)NN
Structure:
CAS RN: 19853-18-0
CAS Name: 2-[(2-phenylphenyl)methyl]propanedioic acid
OPENEYE Name: 2-[(2-phenylphenyl)methyl]propanedioic acid
IUPAC Name: 2-[(2-phenylphenyl)methyl]propanedioic acid
SYSTEMATIC NAME: 2-[(2-phenylphenyl)methyl]propanedioic acid
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CC(C(=O)O)C(=O)O
Structure:
CAS RN: 19926-46-6
CAS Name: 2-[(2-phenylphenyl)methyl]propanedioic acid
OPENEYE Name: 2-[(2-phenylphenyl)methyl]propanedioic acid
IUPAC Name: 2-[(2-phenylphenyl)methyl]propanedioic acid
SYSTEMATIC NAME: 2-[(2-phenylphenyl)methyl]propanedioic acid
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2CC(C(=O)O)C(=O)O
Structure:
CAS RN: 21187-73-5
CAS Name: 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
IUPAC Name: 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 6,7,8-trimethoxy-5-oxidanyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C21H22O9
MOLECULAR WEIGHT: 418.39398
SMILES: COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3O)OC)OC)OC
Structure:
CAS RN: 4897-03-4
CAS Name: (2-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
OPENEYE Name: (2-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
IUPAC Name: (2-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SYSTEMATIC NAME: (2-bromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
MOLECULAR FORMULA: C17H17BrO
MOLECULAR WEIGHT: 317.22028
SMILES: CC1=CC(=C(C(=C1C)C(=O)C2=CC=CC=C2Br)C)C
Structure:
CAS RN: 16837-09-5
CAS Name: 2-(1-methyl-4H-quinolin-4-yl)-2-phenylacetonitrile
OPENEYE Name: 2-(1-methyl-4H-quinolin-4-yl)-2-phenyl-acetonitrile
IUPAC Name: 2-(1-methyl-4H-quinolin-4-yl)-2-phenylacetonitrile
SYSTEMATIC NAME: 2-(1-methyl-4H-quinolin-4-yl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C18H16N2
MOLECULAR WEIGHT: 260.33304
SMILES: CN1C=CC(C2=CC=CC=C21)C(C#N)C3=CC=CC=C3
Structure:
CAS RN: 39673-98-8
CAS Name: 2-[4-[[4-(1,3-dioxo-2-isoindolyl)phenyl]methyl]phenyl]isoindole-1,3-dione
OPENEYE Name: 2-[4-[[4-(1,3-dioxoisoindolin-2-yl)phenyl]methyl]phenyl]isoindoline-1,3-dione
IUPAC Name: 2-[4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]methyl]phenyl]isoindole-1,3-dione
MOLECULAR FORMULA: C29H18N2O4
MOLECULAR WEIGHT: 458.46422
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O
Structure:
CAS RN: 80552-29-0
CAS Name: 1,3-dichloro-2-(chloromethyl)-2-nitropropane
OPENEYE Name: 1,3-dichloro-2-(chloromethyl)-2-nitro-propane
IUPAC Name: 1,3-dichloro-2-(chloromethyl)-2-nitropropane
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-(chloromethyl)-2-nitro-propane
MOLECULAR FORMULA: C4H6Cl3NO2
MOLECULAR WEIGHT: 206.45494
SMILES: C(C(CCl)(CCl)[N+](=O)[O-])Cl
Structure:
CAS RN: 36934-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H73NO15
MOLECULAR WEIGHT: 868.05882
SMILES: C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Structure:
CAS RN: 3671-38-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H73NO15
MOLECULAR WEIGHT: 868.05882
SMILES: C[C@H]1CC[C@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Structure:
CAS RN: 1940-27-8
CAS Name: 4-bromo-2,5-dichloroaniline
OPENEYE Name: 4-bromo-2,5-dichloro-aniline
IUPAC Name: 4-bromo-2,5-dichloroaniline
SYSTEMATIC NAME: 4-bromanyl-2,5-bis(chloranyl)aniline
MOLECULAR FORMULA: C6H4BrCl2N
MOLECULAR WEIGHT: 240.91266
SMILES: C1=C(C(=CC(=C1Cl)Br)Cl)N
Structure:
CAS RN: 57292-38-3
CAS Name: methanesulfonic acid [5-(2,4-dioxo-1-pyrimidinyl)-4-(triphenylmethyl)oxy-2-[(triphenylmethyl)oxymethyl]-3-oxolanyl] ester
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-4-trityloxy-2-(trityloxymethyl)tetrahydrofuran-3-yl] methanesulfonate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-4-trityloxy-2-(trityloxymethyl)oxolan-3-yl] methanesulfonate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-(triphenylmethyl)oxy-2-[(triphenylmethyl)oxymethyl]oxolan-3-yl] methanesulfonate
MOLECULAR FORMULA: C48H42N2O8S
MOLECULAR WEIGHT: 806.92068
SMILES: CS(=O)(=O)OC1C(OC(C1OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=O)NC5=O)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 6619-04-1
CAS Name: 1-[4-hydroxy-3-(triphenylmethyl)oxy-5-[(triphenylmethyl)oxymethyl]-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[4-hydroxy-3-trityloxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[4-hydroxy-3-trityloxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[4-oxidanyl-3-(triphenylmethyl)oxy-5-[(triphenylmethyl)oxymethyl]oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C47H40N2O6
MOLECULAR WEIGHT: 728.8303
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=O)NC5=O)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O
Structure:
CAS RN: 13106-85-9
CAS Name: 1,2,3-trimethoxy-10-methyl-9-acridinone
OPENEYE Name: 1,2,3-trimethoxy-10-methyl-acridin-9-one
IUPAC Name: 1,2,3-trimethoxy-10-methylacridin-9-one
SYSTEMATIC NAME: 1,2,3-trimethoxy-10-methyl-acridin-9-one
MOLECULAR FORMULA: C17H17NO4
MOLECULAR WEIGHT: 299.32118
SMILES: CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)OC
Structure:
CAS RN: 3348-59-2
CAS Name: N'-diethoxyphosphoryl-N,N,2-trimethylpropanimidamide
OPENEYE Name: N'-diethoxyphosphoryl-N,N,2-trimethyl-propanamidine
IUPAC Name: N'-diethoxyphosphoryl-N,N,2-trimethylpropanimidamide
SYSTEMATIC NAME: N'-diethoxyphosphoryl-N,N,2-trimethyl-propanimidamide
MOLECULAR FORMULA: C10H23N2O3P
MOLECULAR WEIGHT: 250.274981
SMILES: CCOP(=O)(N=C(C(C)C)N(C)C)OCC
Structure:
CAS RN: 6634-21-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: C1C2C=CC1C3C2CC(C3)(C(=O)O)C(=O)O
Structure:
CAS RN: 16347-97-0
CAS Name: 4-phenoxyquinazoline
OPENEYE Name: 4-phenoxyquinazoline
IUPAC Name: 4-phenoxyquinazoline
SYSTEMATIC NAME: 4-phenoxyquinazoline
MOLECULAR FORMULA: C14H10N2O
MOLECULAR WEIGHT: 222.242
SMILES: C1=CC=C(C=C1)OC2=NC=NC3=CC=CC=C32
Structure:
CAS RN: 90418-00-1
CAS Name: 1-methyl-4-quinazolinethione
OPENEYE Name: 1-methylquinazoline-4-thione
IUPAC Name: 1-methylquinazoline-4-thione
SYSTEMATIC NAME: 1-methylquinazoline-4-thione
MOLECULAR FORMULA: C9H8N2S
MOLECULAR WEIGHT: 176.23822
SMILES: CN1C=NC(=S)C2=CC=CC=C21
Structure:
CAS RN: 90418-01-2
CAS Name: 3-methyl-4-quinazolinethione
OPENEYE Name: 3-methylquinazoline-4-thione
IUPAC Name: 3-methylquinazoline-4-thione
SYSTEMATIC NAME: 3-methylquinazoline-4-thione
MOLECULAR FORMULA: C9H8N2S
MOLECULAR WEIGHT: 176.23822
SMILES: CN1C=NC2=CC=CC=C2C1=S
Structure:
CAS RN: 23017-36-9
CAS Name: benzoic acid 6-benzoyloxyhexyl ester
OPENEYE Name: 6-benzoyloxyhexyl benzoate
IUPAC Name: 6-benzoyloxyhexyl benzoate
SYSTEMATIC NAME: 6-(phenylcarbonyloxy)hexyl benzoate
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: C1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=CC=C2
Structure:
CAS RN: 467-53-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H30F2O2
MOLECULAR WEIGHT: 364.469206
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CCC=C5)C)C4(F)F)C
Structure:
CAS RN: 18917-76-5
CAS Name: 4-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: 4-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: 4-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 4-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C18H23FO2
MOLECULAR WEIGHT: 290.372423
SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4F)O
Structure:
CAS RN: 95838-16-7
CAS Name: (4-hydroxy-3,5-diiodophenyl)-(2-propan-2-yl-3-benzofuranyl)methanone
OPENEYE Name: (4-hydroxy-3,5-diiodo-phenyl)-(2-isopropylbenzofuran-3-yl)methanone
IUPAC Name: (4-hydroxy-3,5-diiodophenyl)-(2-propan-2-yl-1-benzofuran-3-yl)methanone
SYSTEMATIC NAME: [3,5-bis(iodanyl)-4-oxidanyl-phenyl]-(2-propan-2-yl-1-benzofuran-3-yl)methanone
MOLECULAR FORMULA: C18H14I2O3
MOLECULAR WEIGHT: 532.1109
SMILES: CC(C)C1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I
Structure:
CAS RN: 29910-92-7
CAS Name: 2-[(3-methoxyphenyl)methylidene]propanedinitrile
OPENEYE Name: 2-[(3-methoxyphenyl)methylene]propanedinitrile
IUPAC Name: 2-[(3-methoxyphenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(3-methoxyphenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C11H8N2O
MOLECULAR WEIGHT: 184.19402
SMILES: COC1=CC=CC(=C1)C=C(C#N)C#N
Structure:
CAS RN: 241127-58-2
CAS Name: 5,8-dihydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
OPENEYE Name: 5,8-dihydroxydecalin-1-carboxylic acid
IUPAC Name: 5,8-dihydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
SYSTEMATIC NAME: 5,8-bis(oxidanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylic acid
MOLECULAR FORMULA: C11H18O4
MOLECULAR WEIGHT: 214.25822
SMILES: C1CC2C(CCC(C2C(C1)C(=O)O)O)O
Structure:
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