CAS RN: 90749-76-1
CAS Name: 6-amino-3-methyl-5-nitroso-1-prop-2-enylpyrimidine-2,4-dione
OPENEYE Name: 1-allyl-6-amino-3-methyl-5-nitroso-pyrimidine-2,4-dione
IUPAC Name: 6-amino-3-methyl-5-nitroso-1-prop-2-enylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-3-methyl-5-nitroso-1-prop-2-enyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H10N4O3
MOLECULAR WEIGHT: 210.19
SMILES: CN1C(=O)C(=C(N(C1=O)CC=C)N)N=O
Structure:
CAS RN: 6501-95-7
CAS Name: 6-amino-1,3-dimethyl-5-nitroso-2-sulfanylidene-4-pyrimidinone
OPENEYE Name: 6-amino-1,3-dimethyl-5-nitroso-2-thioxo-pyrimidin-4-one
IUPAC Name: 6-amino-1,3-dimethyl-5-nitroso-2-sulfanylidenepyrimidin-4-one
SYSTEMATIC NAME: 6-azanyl-1,3-dimethyl-5-nitroso-2-sulfanylidene-pyrimidin-4-one
MOLECULAR FORMULA: C6H8N4O2S
MOLECULAR WEIGHT: 200.21832
SMILES: CN1C(=C(C(=O)N(C1=S)C)N=O)N
Structure:
CAS RN: 1603-46-9
CAS Name: 3-hydroxy-2,3-dimethoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 3-hydroxy-2,3-dimethoxy-2-phenyl-chroman-4-one
IUPAC Name: 3-hydroxy-2,3-dimethoxy-2-phenylchromen-4-one
SYSTEMATIC NAME: 2,3-dimethoxy-3-oxidanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C17H16O5
MOLECULAR WEIGHT: 300.30594
SMILES: COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=CC=C3
Structure:
CAS RN: 93981-50-1
CAS Name: acetic acid [2,3-dichloro-4-(diacetyloxymethyl)-6-methoxyphenyl] ester
OPENEYE Name: [2,3-dichloro-4-(diacetoxymethyl)-6-methoxy-phenyl] acetate
IUPAC Name: [2,3-dichloro-4-(diacetyloxymethyl)-6-methoxyphenyl] acetate
SYSTEMATIC NAME: [2,3-bis(chloranyl)-4-(diacetyloxymethyl)-6-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C14H14Cl2O7
MOLECULAR WEIGHT: 365.16276
SMILES: CC(=O)OC1=C(C=C(C(=C1Cl)Cl)C(OC(=O)C)OC(=O)C)OC
Structure:
CAS RN: 16358-34-2
CAS Name: 1-(3,7-dinitro-10-phenothiazinyl)ethanone
OPENEYE Name: 1-(3,7-dinitrophenothiazin-10-yl)ethanone
IUPAC Name: 1-(3,7-dinitrophenothiazin-10-yl)ethanone
SYSTEMATIC NAME: 1-(3,7-dinitrophenothiazin-10-yl)ethanone
MOLECULAR FORMULA: C14H9N3O5S
MOLECULAR WEIGHT: 331.30336
SMILES: CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])SC3=C1C=CC(=C3)[N+](=O)[O-]
Structure:
CAS RN: 6622-27-1
CAS Name: 1,3-dihydrobenzo[f]isobenzofuran-3-ol
OPENEYE Name: 1,3-dihydrobenzo[f]isobenzofuran-3-ol
IUPAC Name: 1,3-dihydrobenzo[f][2]benzofuran-3-ol
SYSTEMATIC NAME: 1,3-dihydrobenzo[f][2]benzofuran-3-ol
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1C2=CC3=CC=CC=C3C=C2C(O1)O
Structure:
CAS RN: 55815-20-8
CAS Name: 2,4-dibromo-6-phenylphenol
OPENEYE Name: 2,4-dibromo-6-phenyl-phenol
IUPAC Name: 2,4-dibromo-6-phenylphenol
SYSTEMATIC NAME: 2,4-bis(bromanyl)-6-phenyl-phenol
MOLECULAR FORMULA: C12H8Br2O
MOLECULAR WEIGHT: 327.99932
SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2O)Br)Br
Structure:
CAS RN: 63055-09-4
CAS Name: acetic acid (6-chloro-4-formyl-2-methoxy-3-nitrophenyl) ester
OPENEYE Name: (6-chloro-4-formyl-2-methoxy-3-nitro-phenyl) acetate
IUPAC Name: (6-chloro-4-formyl-2-methoxy-3-nitrophenyl) acetate
SYSTEMATIC NAME: (6-chloranyl-4-methanoyl-2-methoxy-3-nitro-phenyl) ethanoate
MOLECULAR FORMULA: C10H8ClNO6
MOLECULAR WEIGHT: 273.62662
SMILES: CC(=O)OC1=C(C=C(C(=C1OC)[N+](=O)[O-])C=O)Cl
Structure:
CAS RN: 5734-26-9
CAS Name: 8-methoxy-5-nitro-1-benzopyran-2-one
OPENEYE Name: 8-methoxy-5-nitro-chromen-2-one
IUPAC Name: 8-methoxy-5-nitrochromen-2-one
SYSTEMATIC NAME: 8-methoxy-5-nitro-chromen-2-one
MOLECULAR FORMULA: C10H7NO5
MOLECULAR WEIGHT: 221.16628
SMILES: COC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC(=O)O2
Structure:
CAS RN: 63055-06-1
CAS Name: 5-chloro-4-hydroxy-3-methoxy-2-nitrobenzaldehyde
OPENEYE Name: 5-chloro-4-hydroxy-3-methoxy-2-nitro-benzaldehyde
IUPAC Name: 5-chloro-4-hydroxy-3-methoxy-2-nitrobenzaldehyde
SYSTEMATIC NAME: 5-chloranyl-3-methoxy-2-nitro-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C8H6ClNO5
MOLECULAR WEIGHT: 231.58994
SMILES: COC1=C(C(=CC(=C1O)Cl)C=O)[N+](=O)[O-]
Structure:
CAS RN: 90001-43-7
CAS Name: 2-bromoterephthalaldehyde
OPENEYE Name: 2-bromoterephthalaldehyde
IUPAC Name: 2-bromoterephthalaldehyde
SYSTEMATIC NAME: 2-bromanylterephthalaldehyde
MOLECULAR FORMULA: C8H5BrO2
MOLECULAR WEIGHT: 213.0281
SMILES: C1=CC(=C(C=C1C=O)Br)C=O
Structure:
CAS RN: 7151-45-3
CAS Name: acetic acid [5-(diacetyloxymethyl)-2-methoxyphenyl] ester
OPENEYE Name: [5-(diacetoxymethyl)-2-methoxy-phenyl] acetate
IUPAC Name: [5-(diacetyloxymethyl)-2-methoxyphenyl] acetate
SYSTEMATIC NAME: [5-(diacetyloxymethyl)-2-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C14H16O7
MOLECULAR WEIGHT: 296.27264
SMILES: CC(=O)OC1=C(C=CC(=C1)C(OC(=O)C)OC(=O)C)OC
Structure:
CAS RN: 93001-35-5
CAS Name: acetic acid [4-bromo-2-(diacetyloxymethyl)-6-methoxyphenyl] ester
OPENEYE Name: [4-bromo-2-(diacetoxymethyl)-6-methoxy-phenyl] acetate
IUPAC Name: [4-bromo-2-(diacetyloxymethyl)-6-methoxyphenyl] acetate
SYSTEMATIC NAME: [4-bromanyl-2-(diacetyloxymethyl)-6-methoxy-phenyl] ethanoate
MOLECULAR FORMULA: C14H15BrO7
MOLECULAR WEIGHT: 375.1687
SMILES: CC(=O)OC1=C(C=C(C=C1C(OC(=O)C)OC(=O)C)Br)OC
Structure:
CAS RN: 13333-86-3
CAS Name: 2-(4-phenylphenoxy)acetic acid
OPENEYE Name: 2-(4-phenylphenoxy)acetic acid
IUPAC Name: 2-(4-phenylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-phenylphenoxy)ethanoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)O
Structure:
CAS RN: 1336-26-1
CAS Name: 2-(4-phenylphenoxy)acetic acid
OPENEYE Name: 2-(4-phenylphenoxy)acetic acid
IUPAC Name: 2-(4-phenylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(4-phenylphenoxy)ethanoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)O
Structure:
CAS RN: 27508-09-4
CAS Name: 2,4-dinitro-1-phenylmethoxybenzene
OPENEYE Name: 1-benzyloxy-2,4-dinitro-benzene
IUPAC Name: 2,4-dinitro-1-phenylmethoxybenzene
SYSTEMATIC NAME: 2,4-dinitro-1-phenylmethoxy-benzene
MOLECULAR FORMULA: C13H10N2O5
MOLECULAR WEIGHT: 274.2289
SMILES: C1=CC=C(C=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1204-44-0
CAS Name: 2-(4-chlorophenyl)aniline
OPENEYE Name: 2-(4-chlorophenyl)aniline
IUPAC Name: 2-(4-chlorophenyl)aniline
SYSTEMATIC NAME: 2-(4-chlorophenyl)aniline
MOLECULAR FORMULA: C12H10ClN
MOLECULAR WEIGHT: 203.6675
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 1207-00-7
CAS Name: 2-(4-chlorophenyl)aniline
OPENEYE Name: 2-(4-chlorophenyl)aniline
IUPAC Name: 2-(4-chlorophenyl)aniline
SYSTEMATIC NAME: 2-(4-chlorophenyl)aniline
MOLECULAR FORMULA: C12H10ClN
MOLECULAR WEIGHT: 203.6675
SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 20013-99-4
CAS Name: 1,4-dibromo-2,3-dimethylnaphthalene
OPENEYE Name: 1,4-dibromo-2,3-dimethyl-naphthalene
IUPAC Name: 1,4-dibromo-2,3-dimethylnaphthalene
SYSTEMATIC NAME: 1,4-bis(bromanyl)-2,3-dimethyl-naphthalene
MOLECULAR FORMULA: C12H10Br2
MOLECULAR WEIGHT: 314.0158
SMILES: CC1=C(C2=CC=CC=C2C(=C1C)Br)Br
Structure:
CAS RN: 13720-37-1
CAS Name: 2,6-dinitro-4-(4-nitrophenyl)phenol
OPENEYE Name: 2,6-dinitro-4-(4-nitrophenyl)phenol
IUPAC Name: 2,6-dinitro-4-(4-nitrophenyl)phenol
SYSTEMATIC NAME: 2,6-dinitro-4-(4-nitrophenyl)phenol
MOLECULAR FORMULA: C12H7N3O7
MOLECULAR WEIGHT: 305.19988
SMILES: C1=CC(=CC=C1C2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 42298-41-9
CAS Name: 5-iodo-2-methoxybenzaldehyde
OPENEYE Name: 5-iodo-2-methoxy-benzaldehyde
IUPAC Name: 5-iodo-2-methoxybenzaldehyde
SYSTEMATIC NAME: 5-iodanyl-2-methoxy-benzaldehyde
MOLECULAR FORMULA: C8H7IO2
MOLECULAR WEIGHT: 262.04445
SMILES: COC1=C(C=C(C=C1)I)C=O
Structure:
CAS RN: 5034-74-2
CAS Name: 5-bromo-2-hydroxy-3-methoxybenzaldehyde
OPENEYE Name: 5-bromo-2-hydroxy-3-methoxy-benzaldehyde
IUPAC Name: 5-bromo-2-hydroxy-3-methoxybenzaldehyde
SYSTEMATIC NAME: 5-bromanyl-3-methoxy-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C8H7BrO3
MOLECULAR WEIGHT: 231.04338
SMILES: COC1=C(C(=CC(=C1)Br)C=O)O
Structure:
CAS RN: 19477-73-7
CAS Name: 6-bromo-3H-isobenzofuran-1-one
OPENEYE Name: 6-bromo-3H-isobenzofuran-1-one
IUPAC Name: 6-bromo-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 6-bromanyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H5BrO2
MOLECULAR WEIGHT: 213.0281
SMILES: C1C2=C(C=C(C=C2)Br)C(=O)O1
Structure:
CAS RN: 7368-78-7
CAS Name: 4-bromo-2-methoxyphenol
OPENEYE Name: 4-bromo-2-methoxy-phenol
IUPAC Name: 4-bromo-2-methoxyphenol
SYSTEMATIC NAME: 4-bromanyl-2-methoxy-phenol
MOLECULAR FORMULA: C7H7BrO2
MOLECULAR WEIGHT: 203.03328
SMILES: COC1=C(C=CC(=C1)Br)O
Structure:
CAS RN: 17396-35-9
CAS Name: 1,1-dioxo-4-thianone
OPENEYE Name: 1,1-dioxothian-4-one
IUPAC Name: 1,1-dioxothian-4-one
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)thian-4-one
MOLECULAR FORMULA: C5H8O3S
MOLECULAR WEIGHT: 148.18022
SMILES: C1CS(=O)(=O)CCC1=O
Structure:
CAS RN: 7500-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H19N3O2
MOLECULAR WEIGHT: 273.33026
SMILES: C1C2C(C(C1C3C2N=NN3C4=CC=CC=C4)CO)CO
Structure:
CAS RN: 5709-62-6
CAS Name: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
OPENEYE Name: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
IUPAC Name: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
SYSTEMATIC NAME: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: CN(C)C[C@H]1[C@H](C2CC1C=C2)CO
Structure:
CAS RN: 56679-25-5
CAS Name: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
OPENEYE Name: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
IUPAC Name: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
SYSTEMATIC NAME: [(2R,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: CN(C)C[C@H]1[C@H](C2CC1C=C2)CO
Structure:
CAS RN: 57128-29-7
CAS Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
OPENEYE Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
IUPAC Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
SYSTEMATIC NAME: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: CN(C)C[C@@H]1[C@H](C2CC1C=C2)CO
Structure:
CAS RN: 56711-26-3
CAS Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
OPENEYE Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
IUPAC Name: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
SYSTEMATIC NAME: [(2S,3S)-2-[(dimethylamino)methyl]-3-bicyclo[2.2.1]hept-5-enyl]methanol
MOLECULAR FORMULA: C11H19NO
MOLECULAR WEIGHT: 181.27466
SMILES: CN(C)C[C@@H]1[C@H](C2CC1C=C2)CO
Structure:
CAS RN: 10338-34-8
CAS Name: 7-oxazolo[5,4-d]pyrimidinamine
OPENEYE Name: oxazolo[5,4-d]pyrimidin-7-amine
IUPAC Name: [1,3]oxazolo[5,4-d]pyrimidin-7-amine
SYSTEMATIC NAME: [1,3]oxazolo[5,4-d]pyrimidin-7-amine
MOLECULAR FORMULA: C5H4N4O
MOLECULAR WEIGHT: 136.11146
SMILES: C1=NC(=C2C(=N1)OC=N2)N
Structure:
CAS RN: 51732-78-6
CAS Name: 3-[4-(3-aminopropyl)-1-piperazinyl]-1-propanamine; terephthalic acid
OPENEYE Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acid
IUPAC Name: 3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine; terephthalic acid
SYSTEMATIC NAME: 3-[4-(3-azanylpropyl)piperazin-1-yl]propan-1-amine; terephthalic acid
MOLECULAR FORMULA: C18H30N4O4
MOLECULAR WEIGHT: 366.4552
SMILES: C1CN(CCN1CCCN)CCCN.C1=CC(=CC=C1C(=O)O)C(=O)O
Structure:
CAS RN: 41288-02-2
CAS Name: 1-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)-2-naphthalenol
OPENEYE Name: 1-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)naphthalen-2-ol
IUPAC Name: 1-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)naphthalen-2-ol
SYSTEMATIC NAME: 1-(3-azabicyclo[3.2.2]nonan-3-ylmethyl)naphthalen-2-ol
MOLECULAR FORMULA: C19H23NO
MOLECULAR WEIGHT: 281.39202
SMILES: C1CC2CCC1CN(C2)CC3=C(C=CC4=CC=CC=C43)O
Structure:
CAS RN: 13908-78-6
CAS Name: 1,3-bis(1-chlorobutan-2-yl)-1-nitrosourea
OPENEYE Name: 1,3-bis[1-(chloromethyl)propyl]-1-nitroso-urea
IUPAC Name: 1,3-bis(1-chlorobutan-2-yl)-1-nitrosourea
SYSTEMATIC NAME: 1,3-bis(1-chloranylbutan-2-yl)-1-nitroso-urea
MOLECULAR FORMULA: C9H17Cl2N3O2
MOLECULAR WEIGHT: 270.15618
SMILES: CCC(CCl)NC(=O)N(C(CC)CCl)N=O
Structure:
CAS RN: 13929-18-5
CAS Name: 1,3-bis(1-chlorobutan-2-yl)urea
OPENEYE Name: 1,3-bis[1-(chloromethyl)propyl]urea
IUPAC Name: 1,3-bis(1-chlorobutan-2-yl)urea
SYSTEMATIC NAME: 1,3-bis(1-chloranylbutan-2-yl)urea
MOLECULAR FORMULA: C9H18Cl2N2O
MOLECULAR WEIGHT: 241.15802
SMILES: CCC(CCl)NC(=O)NC(CC)CCl
Structure:
CAS RN: 13908-76-4
CAS Name: 1-(2-chloropropyl)-3-cyclohexyl-1-nitrosourea
OPENEYE Name: 1-(2-chloropropyl)-3-cyclohexyl-1-nitroso-urea
IUPAC Name: 1-(2-chloropropyl)-3-cyclohexyl-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloranylpropyl)-3-cyclohexyl-1-nitroso-urea
MOLECULAR FORMULA: C10H18ClN3O2
MOLECULAR WEIGHT: 247.72182
SMILES: CC(CN(C(=O)NC1CCCCC1)N=O)Cl
Structure:
CAS RN: 13945-80-7
CAS Name: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(3R,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-1-nitroso-urea
MOLECULAR FORMULA: C30H52ClN3O2
MOLECULAR WEIGHT: 522.20578
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)NC(=O)N(CCCl)N=O)C)C
Structure:
CAS RN: 986-19-6
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-3-ethoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-ethoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-ethoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-3-ethoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C29H50O
MOLECULAR WEIGHT: 414.7067
SMILES: CCO[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
Structure:
CAS RN: 1174-92-1
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C28H48O
MOLECULAR WEIGHT: 400.68012
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC)C)C
Structure:
CAS RN: 117766-87-7
CAS Name: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,17R)-3-methoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C28H48O
MOLECULAR WEIGHT: 400.68012
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC)C)C
Structure:
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