Friday, October 26, 2012

http://ChemLookup.com Compounds




CAS RN: 35241-55-5
CAS Name: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone
OPENEYE Name: 1-(2,6-dihydroxy-4-methoxy-phenyl)-3-phenyl-propan-1-one
IUPAC Name: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[4-methoxy-2,6-bis(oxidanyl)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O
Structure:

CAS RN: 3995-37-7
CAS Name: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone
OPENEYE Name: 1-(2,6-dihydroxy-4-methoxy-phenyl)-3-phenyl-propan-1-one
IUPAC Name: 1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one
SYSTEMATIC NAME: 1-[4-methoxy-2,6-bis(oxidanyl)phenyl]-3-phenyl-propan-1-one
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O
Structure:

CAS RN: 253797-74-9
CAS Name: acetic acid ethenyl ester; 2-propenoic acid; 2-propenoic acid butyl ester; 2-propenoic acid 2-ethylhexyl ester
OPENEYE Name: acrylic acid; butyl prop-2-enoate; 2-ethylhexyl prop-2-enoate; vinyl acetate
IUPAC Name: butyl prop-2-enoate; ethenyl acetate; 2-ethylhexyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: butyl prop-2-enoate; ethenyl ethanoate; 2-ethylhexyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C25H42O8
MOLECULAR WEIGHT: 470.59618
SMILES: CCCCC(CC)COC(=O)C=C.CCCCOC(=O)C=C.CC(=O)OC=C.C=CC(=O)O
Structure:

CAS RN: 101062-98-0
CAS Name: ammonium; 2-propenoate; styrene
OPENEYE Name: ammonium; prop-2-enoate; styrene
IUPAC Name: azanium; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; prop-2-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Structure:

CAS RN: 158854-01-4
CAS Name: ammonium; 2-propenoate; styrene
OPENEYE Name: ammonium; prop-2-enoate; styrene
IUPAC Name: azanium; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; prop-2-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Structure:

CAS RN: 161279-25-0
CAS Name: ammonium; 2-propenoate; styrene
OPENEYE Name: ammonium; prop-2-enoate; styrene
IUPAC Name: azanium; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; prop-2-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Structure:

CAS RN: 339196-67-7
CAS Name: ammonium; 2-propenoate; styrene
OPENEYE Name: ammonium; prop-2-enoate; styrene
IUPAC Name: azanium; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; prop-2-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Structure:

CAS RN: 35209-54-2
CAS Name: ammonium; 2-propenoate; styrene
OPENEYE Name: ammonium; prop-2-enoate; styrene
IUPAC Name: azanium; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; prop-2-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Structure:

CAS RN: 528560-58-9
CAS Name: ammonium; 2-propenoate; styrene
OPENEYE Name: ammonium; prop-2-enoate; styrene
IUPAC Name: azanium; prop-2-enoate; styrene
SYSTEMATIC NAME: azanium; ethenylbenzene; prop-2-enoate
MOLECULAR FORMULA: C11H15NO2
MOLECULAR WEIGHT: 193.2423
SMILES: C=CC1=CC=CC=C1.C=CC(=O)[O-].[NH4+]
Structure:

CAS RN: 3989-97-7
CAS Name: benzoic acid 3,4-dihydroxypentyl ester
OPENEYE Name: 3,4-dihydroxypentyl benzoate
IUPAC Name: 3,4-dihydroxypentyl benzoate
SYSTEMATIC NAME: 3,4-bis(oxidanyl)pentyl benzoate
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CC(C(CCOC(=O)C1=CC=CC=C1)O)O
Structure:

CAS RN: 35158-39-5
CAS Name: 3-bromo-4-(4-chlorophenyl)-4-oxobutanoic acid
OPENEYE Name: 3-bromo-4-(4-chlorophenyl)-4-oxo-butanoic acid
IUPAC Name: 3-bromo-4-(4-chlorophenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 3-bromanyl-4-(4-chlorophenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C10H8BrClO3
MOLECULAR WEIGHT: 291.52572
SMILES: C1=CC(=CC=C1C(=O)C(CC(=O)O)Br)Cl
Structure:

CAS RN: 35127-50-5
CAS Name: 7-methyloctanal
OPENEYE Name: 7-methyloctanal
IUPAC Name: 7-methyloctanal
SYSTEMATIC NAME: 7-methyloctanal
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: CC(C)CCCCCC=O
Structure:

CAS RN: 35121-64-3
CAS Name: copper dichloride
OPENEYE Name: copper dichloride
IUPAC Name: copper dichloride
SYSTEMATIC NAME: copper dichloride
MOLECULAR FORMULA: Cl2Cu
MOLECULAR WEIGHT: 134.452
SMILES: [Cl-].[Cl-].[Cu+2]
Structure:

CAS RN: 35112-53-9
CAS Name: barium(2+); dioxido-oxo-sulfanylidene-$l^{6}-sulfane
OPENEYE Name: barium(2+); dioxido-oxo-thioxo-$l^{6}-sulfane
IUPAC Name: barium(2+); dioxido-oxo-sulfanylidene-$l^{6}-sulfane
SYSTEMATIC NAME: barium(2+); bis(oxidanidyl)-oxidanylidene-sulfanylidene-$l^{6}-sulfane
MOLECULAR FORMULA: BaO3S2
MOLECULAR WEIGHT: 249.4552
SMILES: [O-]S(=O)(=S)[O-].[Ba+2]
Structure:

CAS RN: 39718-85-9
CAS Name: 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]-2-pyrrolidinone hydrochloride
OPENEYE Name: 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one hydrochloride
IUPAC Name: 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one hydrochloride
SYSTEMATIC NAME: 1-[4-[2-chloroethyl(methyl)amino]but-2-ynyl]pyrrolidin-2-one hydrochloride
MOLECULAR FORMULA: C11H18Cl2N2O
MOLECULAR WEIGHT: 265.17942
SMILES: CN(CCCl)CC#CCN1CCCC1=O.Cl
Structure:

CAS RN: 42873-80-3
CAS Name: 1-(2-dodecoxyethyl)pyrrolidine
OPENEYE Name: 1-(2-dodecoxyethyl)pyrrolidine
IUPAC Name: 1-(2-dodecoxyethyl)pyrrolidine
SYSTEMATIC NAME: 1-(2-dodecoxyethyl)pyrrolidine
MOLECULAR FORMULA: C18H37NO
MOLECULAR WEIGHT: 283.49248
SMILES: CCCCCCCCCCCCOCCN1CCCC1
Structure:

CAS RN: 2169-38-2
CAS Name: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
OPENEYE Name: N-(3-trimethoxysilylpropyl)-N'-[(2-vinylphenyl)methyl]ethane-1,2-diamine
IUPAC Name: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
SYSTEMATIC NAME: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
MOLECULAR FORMULA: C17H30N2O3Si
MOLECULAR WEIGHT: 338.5172
SMILES: CO[Si](CCCNCCNCC1=CC=CC=C1C=C)(OC)OC
Structure:

CAS RN: 133681-81-9
CAS Name: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N-(3-trimethoxysilylpropyl)-N'-[(2-vinylphenyl)methyl]ethane-1,2-diamine hydrochloride
IUPAC Name: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C17H31ClN2O3Si
MOLECULAR WEIGHT: 374.97814
SMILES: CO[Si](CCCNCCNCC1=CC=CC=C1C=C)(OC)OC.Cl
Structure:

CAS RN: 34937-00-3
CAS Name: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine hydrochloride
OPENEYE Name: N-(3-trimethoxysilylpropyl)-N'-[(2-vinylphenyl)methyl]ethane-1,2-diamine hydrochloride
IUPAC Name: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N'-[(2-ethenylphenyl)methyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C17H31ClN2O3Si
MOLECULAR WEIGHT: 374.97814
SMILES: CO[Si](CCCNCCNCC1=CC=CC=C1C=C)(OC)OC.Cl
Structure:

CAS RN: 56367-27-2
CAS Name: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
OPENEYE Name: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
IUPAC Name: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
SYSTEMATIC NAME: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
MOLECULAR FORMULA: C14H11N3O2
MOLECULAR WEIGHT: 253.25604
SMILES: C1=CC=C(C=C1)N2C(=O)NN(C2=O)C3=CC=CC=C3
Structure:

CAS RN: 34874-03-8
CAS Name: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
OPENEYE Name: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
IUPAC Name: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
SYSTEMATIC NAME: 1,4-diphenyl-1,2,4-triazolidine-3,5-dione
MOLECULAR FORMULA: C14H11N3O2
MOLECULAR WEIGHT: 253.25604
SMILES: C1=CC=C(C=C1)N2C(=O)NN(C2=O)C3=CC=CC=C3
Structure:

CAS RN: 34864-30-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H32O6
MOLECULAR WEIGHT: 404.49658
SMILES: CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C34C2(C5(CO5)C(=O)C3O4)C
Structure:

CAS RN: 34810-13-4
CAS Name: 9-anthracenecarboxamide
OPENEYE Name: anthracene-9-carboxamide
IUPAC Name: anthracene-9-carboxamide
SYSTEMATIC NAME: anthracene-9-carboxamide
MOLECULAR FORMULA: C15H11NO
MOLECULAR WEIGHT: 221.25394
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)N
Structure:

CAS RN: 93941-79-8
CAS Name: 7-[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,3,6-trisulfonic acid
OPENEYE Name: 7-[4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfo-anilino]-1,3,5-triazin-2-yl]amino]-2-ureido-phenyl]azonaphthalene-1,3,6-trisulfonic acid
IUPAC Name: 7-[[2-(carbamoylamino)-4-[[4-chloro-6-[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfoanilino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
SYSTEMATIC NAME: 7-[[2-(aminocarbonylamino)-4-[[4-chloranyl-6-[[5-[[4-chloranyl-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,3,6-trisulfonic acid
MOLECULAR FORMULA: C35H26Cl2N14O16S5
MOLECULAR WEIGHT: 1129.89614
SMILES: C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)O)NC4=NC(=NC(=N4)NC5=CC(=C(C=C5)N=NC6=C(C=C7C=C(C=C(C7=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)N)Cl)Cl
Structure:

CAS RN: 34729-54-9
CAS Name: dicesium tellurate
OPENEYE Name: dicesium tellurate
IUPAC Name: dicesium tellurate
SYSTEMATIC NAME: dicesium tellurate
MOLECULAR FORMULA: Cs2O4Te
MOLECULAR WEIGHT: 457.4085
SMILES: [O-][Te](=O)(=O)[O-].[Cs+].[Cs+]
Structure:

CAS RN: 72798-32-4
CAS Name: dicesium tellurate
OPENEYE Name: dicesium tellurate
IUPAC Name: dicesium tellurate
SYSTEMATIC NAME: dicesium tellurate
MOLECULAR FORMULA: Cs2O4Te
MOLECULAR WEIGHT: 457.4085
SMILES: [O-][Te](=O)(=O)[O-].[Cs+].[Cs+]
Structure:

CAS RN: 12656-22-3
CAS Name: ammonia; 2-cyanoguanidine; formaldehyde
OPENEYE Name: ammonia; 2-cyanoguanidine; formaldehyde
IUPAC Name: azane; 2-cyanoguanidine; formaldehyde
SYSTEMATIC NAME: azane; 2-cyanoguanidine; methanal
MOLECULAR FORMULA: C3H9N5O
MOLECULAR WEIGHT: 131.13646
SMILES: C=O.C(#N)N=C(N)N.N
Structure:

CAS RN: 39312-80-6
CAS Name: 3,5-ditert-butyl-4-(2,6-ditert-butyl-4-hydroxyphenyl)phenol
OPENEYE Name: 3,5-ditert-butyl-4-(2,6-ditert-butyl-4-hydroxy-phenyl)phenol
IUPAC Name: 3,5-ditert-butyl-4-(2,6-ditert-butyl-4-hydroxyphenyl)phenol
SYSTEMATIC NAME: 3,5-ditert-butyl-4-(2,6-ditert-butyl-4-oxidanyl-phenyl)phenol
MOLECULAR FORMULA: C28H42O2
MOLECULAR WEIGHT: 410.63188
SMILES: CC(C)(C)C1=CC(=CC(=C1C2=C(C=C(C=C2C(C)(C)C)O)C(C)(C)C)C(C)(C)C)O
Structure:

CAS RN: 34557-94-3
CAS Name: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol
OPENEYE Name: adipic acid; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; 2-(2-hydroxyethoxy)ethanol
IUPAC Name: 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethoxy)ethanol
SYSTEMATIC NAME: 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene; 2-ethyl-2-(hydroxymethyl)propane-1,3-diol; hexanedioic acid; 2-(2-hydroxyethyloxy)ethanol
MOLECULAR FORMULA: C34H46N4O14
MOLECULAR WEIGHT: 734.74744
SMILES: CCC(CO)(CO)CO.CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(COCCO)O
Structure:

CAS RN: 34527-56-5
CAS Name: (4-dimethyliminio-1-cyclohexa-2,5-dienylidene)-dimethylammonium
OPENEYE Name: (4-dimethyliminiocyclohexa-2,5-dien-1-ylidene)-dimethyl-ammonium
IUPAC Name: (4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-dimethylazanium
SYSTEMATIC NAME: (4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)-dimethyl-azanium
MOLECULAR FORMULA: C10H16N2+2
MOLECULAR WEIGHT: 164.24744
SMILES: C[N+](=C1C=CC(=[N+](C)C)C=C1)C
Structure:

CAS RN: 34513-98-9
CAS Name: nitrilooxonium; ruthenium(2+); trinitrate
OPENEYE Name: nitridooxonium; ruthenium(2+); trinitrate
IUPAC Name: azanylidyneoxidanium; ruthenium(2+); trinitrate
SYSTEMATIC NAME: azanylidyneoxidanium; ruthenium(2+); trinitrate
MOLECULAR FORMULA: N4O10Ru
MOLECULAR WEIGHT: 317.0908
SMILES: N#[O+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ru+2]
Structure:

CAS RN: 39123-15-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H50O3
MOLECULAR WEIGHT: 458.7162
SMILES: CC(C)CCCC1(C2C3CC[C@H]4[C@H](C3(CC2C(=O)O1)C)CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C
Structure:

CAS RN: 24582-90-9
CAS Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
OPENEYE Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
IUPAC Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
SYSTEMATIC NAME: 2-[(2S,3S,4S)-3-methanoyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]ethanoic acid
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: C[C@H]1[C@H]([C@@H](C(=CO1)C(=O)OC)CC(=O)O)C=O
Structure:

CAS RN: 34422-12-3
CAS Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
OPENEYE Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
IUPAC Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
SYSTEMATIC NAME: 2-[(2S,3S,4S)-3-methanoyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]ethanoic acid
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: C[C@H]1[C@H]([C@@H](C(=CO1)C(=O)OC)CC(=O)O)C=O
Structure:

CAS RN: 51050-95-4
CAS Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
OPENEYE Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
IUPAC Name: 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
SYSTEMATIC NAME: 2-[(2S,3S,4S)-3-methanoyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]ethanoic acid
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: C[C@H]1[C@H]([C@@H](C(=CO1)C(=O)OC)CC(=O)O)C=O
Structure:

CAS RN: 39065-95-7
CAS Name: carbamic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbamate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbamate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] carbamate
MOLECULAR FORMULA: C20H29NO3
MOLECULAR WEIGHT: 331.44916
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)N)CCC4=CC(=O)CC[C@]34C
Structure:

No comments:

Post a Comment