Wednesday, July 25, 2012

http://ChemLookup.com Compounds




CAS RN: 2217-77-8
CAS Name: (4-phenylphenyl)hydrazine
OPENEYE Name: (4-phenylphenyl)hydrazine
IUPAC Name: (4-phenylphenyl)hydrazine
SYSTEMATIC NAME: (4-phenylphenyl)diazane
MOLECULAR FORMULA: C12H12N2
MOLECULAR WEIGHT: 184.23708
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)NN
Structure:

CAS RN: 76289-30-0
CAS Name: 7-[(8-hydroxy-5-nitro-7-quinolinyl)methyl]-5-nitro-8-quinolinol
OPENEYE Name: 7-[(8-hydroxy-5-nitro-7-quinolyl)methyl]-5-nitro-quinolin-8-ol
IUPAC Name: 7-[(8-hydroxy-5-nitroquinolin-7-yl)methyl]-5-nitroquinolin-8-ol
SYSTEMATIC NAME: 5-nitro-7-[(5-nitro-8-oxidanyl-quinolin-7-yl)methyl]quinolin-8-ol
MOLECULAR FORMULA: C19H12N4O6
MOLECULAR WEIGHT: 392.32178
SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 3704-28-7
CAS Name: 2-(methylthio)benzoic acid methyl ester
OPENEYE Name: methyl 2-methylsulfanylbenzoate
IUPAC Name: methyl 2-methylsulfanylbenzoate
SYSTEMATIC NAME: methyl 2-methylsulfanylbenzoate
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: COC(=O)C1=CC=CC=C1SC
Structure:

CAS RN: 5444-98-4
CAS Name: 2-amino-4-hydrazinyl-4-oxobutanoic acid
OPENEYE Name: 2-amino-4-hydrazino-4-oxo-butanoic acid
IUPAC Name: 2-amino-4-hydrazinyl-4-oxobutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-diazanyl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C4H9N3O3
MOLECULAR WEIGHT: 147.13256
SMILES: C(C(C(=O)O)N)C(=O)NN
Structure:

CAS RN: 24167-53-1
CAS Name: 1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)-2-propanol
OPENEYE Name: 1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-ol
IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-(3-nitrophenyl)propan-2-ol
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-nitrophenyl)propan-2-ol
MOLECULAR FORMULA: C9H5F6NO3
MOLECULAR WEIGHT: 289.131319
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(C(F)(F)F)(C(F)(F)F)O
Structure:

CAS RN: 1197-80-4
CAS Name: 3-azaspiro[4.5]decane-2,4-dione
OPENEYE Name: 3-azaspiro[4.5]decane-2,4-dione
IUPAC Name: 3-azaspiro[4.5]decane-2,4-dione
SYSTEMATIC NAME: 3-azaspiro[4.5]decane-2,4-dione
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: C1CCC2(CC1)CC(=O)NC2=O
Structure:

CAS RN: 103859-38-7
CAS Name: 2-(1,3-dioxolan-2-yl)-2-methyl-1,3-dioxolane
OPENEYE Name: 2-(1,3-dioxolan-2-yl)-2-methyl-1,3-dioxolane
IUPAC Name: 2-(1,3-dioxolan-2-yl)-2-methyl-1,3-dioxolane
SYSTEMATIC NAME: 2-(1,3-dioxolan-2-yl)-2-methyl-1,3-dioxolane
MOLECULAR FORMULA: C7H12O4
MOLECULAR WEIGHT: 160.16778
SMILES: CC1(OCCO1)C2OCCO2
Structure:

CAS RN: 102613-31-0
CAS Name: 1,3-diphenyl-1,3-diazetidine-2,4-dione
OPENEYE Name: 1,3-diphenyl-1,3-diazetidine-2,4-dione
IUPAC Name: 1,3-diphenyl-1,3-diazetidine-2,4-dione
SYSTEMATIC NAME: 1,3-diphenyl-1,3-diazetidine-2,4-dione
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC=C(C=C1)N2C(=O)N(C2=O)C3=CC=CC=C3
Structure:

CAS RN: 4968-68-7
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-triazolo[4,5-d]pyrimidin-7-one
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: C1=NC(=O)C2=NNN(C2=N1)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 34698-34-5
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2H-triazolo[4,5-d]pyrimidin-7-one
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: C1=NC(=O)C2=NNN(C2=N1)C3C(C(C(O3)CO)O)O
Structure:

CAS RN: 31020-68-5
CAS Name: 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile
OPENEYE Name: 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile
IUPAC Name: 2-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetonitrile
SYSTEMATIC NAME: 2-(10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanenitrile
MOLECULAR FORMULA: C21H33NO
MOLECULAR WEIGHT: 315.49282
SMILES: CC12CCC(CC1CCC3C2CCC4(C3CCC4CC#N)C)O
Structure:

CAS RN: 31020-66-3
CAS Name: 2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
OPENEYE Name: 2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
IUPAC Name: 2-(10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)acetonitrile
SYSTEMATIC NAME: 2-(10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)ethanenitrile
MOLECULAR FORMULA: C21H31NO
MOLECULAR WEIGHT: 313.47694
SMILES: CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4CC#N)C
Structure:

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