Saturday, July 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 1-(azidomethoxy)-2-(azidomethyl)-4-chloro-benzene
CAS Name: 1-(azidomethoxy)-2-(azidomethyl)-4-chlorobenzene
IUPAC NAME: 1-(azidomethoxy)-2-(azidomethyl)-4-chlorobenzene
SYSTEMATIC NAME: 1-(azidomethoxy)-2-(azidomethyl)-4-chloranyl-benzene
MOLECULAR FORMULA: C8H7ClN6O
MOLECULAR WEIGHT: 238.63378
SMILES: C1=CC(=C(C=C1Cl)CN=[N+]=[N-])OCN=[N+]=[N-]
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Product OPENEYE NAME: 1-(azidomethoxy)-4-chloro-benzene
CAS Name: 1-(azidomethoxy)-4-chlorobenzene
IUPAC NAME: 1-(azidomethoxy)-4-chlorobenzene
SYSTEMATIC NAME: 1-(azidomethoxy)-4-chloranyl-benzene
MOLECULAR FORMULA: C7H6ClN3O
MOLECULAR WEIGHT: 183.59504
SMILES: C1=CC(=CC=C1OCN=[N+]=[N-])Cl
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Product OPENEYE NAME: 1-(azidomethoxy)-2,4-dichloro-benzene
CAS Name: 1-(azidomethoxy)-2,4-dichlorobenzene
IUPAC NAME: 1-(azidomethoxy)-2,4-dichlorobenzene
SYSTEMATIC NAME: 1-(azidomethoxy)-2,4-bis(chloranyl)benzene
MOLECULAR FORMULA: C7H5Cl2N3O
MOLECULAR WEIGHT: 218.0401
SMILES: C1=CC(=C(C=C1Cl)Cl)OCN=[N+]=[N-]
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Product OPENEYE NAME: 4-[1-(5-amino-5-carboxy-pentyl)-4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyridin-1-ium-2-yl]benzenesulfonate
CAS Name: 4-[1-(5-amino-5-carboxypentyl)-4-(4-hydroxyphenyl)-6-(4-sulfophenyl)-2-pyridin-1-iumyl]benzenesulfonate
IUPAC NAME: 4-[1-(5-amino-5-carboxypentyl)-4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyridin-1-ium-2-yl]benzenesulfonate
SYSTEMATIC NAME: 4-[1-(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)-4-(4-hydroxyphenyl)-6-(4-sulfophenyl)pyridin-1-ium-2-yl]benzenesulfonate
MOLECULAR FORMULA: C29H28N2O9S2
MOLECULAR WEIGHT: 612.67062
SMILES: C1=CC(=CC=C1C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)O)CCCCC(C(=O)O)N)C4=CC=C(C=C4)S(=O)(=O)[O-])O
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Product OPENEYE NAME: 4-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfonatophenyl)pyran-2-yl]benzenesulfonate
CAS Name: 4-[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-6-(4-sulfonatophenyl)-2-pyranyl]benzenesulfonate
IUPAC NAME: 4-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfonatophenyl)pyran-2-yl]benzenesulfonate
SYSTEMATIC NAME: 4-[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-6-(4-sulfonatophenyl)pyran-2-yl]benzenesulfonate
MOLECULAR FORMULA: C23H14O8S2-2
MOLECULAR WEIGHT: 482.48246
SMILES: C1=CC(=O)C=CC1=C2C=C(OC(=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]
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Product OPENEYE NAME: 4-[1-butyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfonatophenyl)-2-pyridyl]benzenesulfonate
CAS Name: 4-[1-butyl-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-6-(4-sulfonatophenyl)-2-pyridinyl]benzenesulfonate
IUPAC NAME: 4-[1-butyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-sulfonatophenyl)pyridin-2-yl]benzenesulfonate
SYSTEMATIC NAME: 4-[1-butyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-6-(4-sulfonatophenyl)pyridin-2-yl]benzenesulfonate
MOLECULAR FORMULA: C27H23NO7S2-2
MOLECULAR WEIGHT: 537.60402
SMILES: CCCCN1C(=CC(=C2C=CC(=O)C=C2)C=C1C3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-amino-6-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-bis(4-sulfonatophenyl)-1-pyridyl]hexanoate
CAS Name: 2-amino-6-[4-(4-oxo-1-cyclohexa-2,5-dienylidene)-2,6-bis(4-sulfonatophenyl)-1-pyridinyl]hexanoate
IUPAC NAME: 2-amino-6-[4-(4-oxocyclohexa-2,5-dien-1-ylidene)-2,6-bis(4-sulfonatophenyl)pyridin-1-yl]hexanoate
SYSTEMATIC NAME: 2-azanyl-6-[4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-2,6-bis(4-sulfonatophenyl)pyridin-1-yl]hexanoate
MOLECULAR FORMULA: C29H25N2O9S2-3
MOLECULAR WEIGHT: 609.6468
SMILES: C1=CC(=O)C=CC1=C2C=C(N(C(=C2)C3=CC=C(C=C3)S(=O)(=O)[O-])CCCCC(C(=O)[O-])N)C4=CC=C(C=C4)S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-methoxy-5-[(E)-3-oxo-3-phenyl-prop-1-enyl]benzenesulfonate
CAS Name: 2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonate
IUPAC NAME: 2-methoxy-5-[(E)-3-oxo-3-phenylprop-1-enyl]benzenesulfonate
SYSTEMATIC NAME: 2-methoxy-5-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]benzenesulfonate
MOLECULAR FORMULA: C16H13O5S-
MOLECULAR WEIGHT: 317.33642
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=CC=C2)S(=O)(=O)[O-]
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Product OPENEYE NAME: (2E)-N,N'-diphenyl-2-(4-phenyl-1,2,5-oxathiazol-3-ylidene)acetamidine
CAS Name: (2E)-N,N'-diphenyl-2-(4-phenyl-1,2,5-oxathiazol-3-ylidene)ethanimidamide
IUPAC NAME: (2E)-N,N'-diphenyl-2-(4-phenyl-1,2,5-oxathiazol-3-ylidene)ethanimidamide
SYSTEMATIC NAME: (2E)-N,N'-diphenyl-2-(4-phenyl-1,2,5-oxathiazol-3-ylidene)ethanimidamide
MOLECULAR FORMULA: C22H17N3OS
MOLECULAR WEIGHT: 371.45488
SMILES: C1=CC=C(C=C1)C\2=NOS/C2=C/C(=NC3=CC=CC=C3)NC4=CC=CC=C4
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Product OPENEYE NAME: 3-phenyl-4-(2-pyridyl)-1H-1,2,4-triazole-5-thione
CAS Name: 3-phenyl-4-(2-pyridinyl)-1H-1,2,4-triazole-5-thione
IUPAC NAME: 3-phenyl-4-pyridin-2-yl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-phenyl-4-pyridin-2-yl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H10N4S
MOLECULAR WEIGHT: 254.3103
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2C3=CC=CC=N3
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Product OPENEYE NAME: 4-(4-nitroanilino)-3-phenyl-1H-1,2,4-triazole-5-thione
CAS Name: 4-(4-nitroanilino)-3-phenyl-1H-1,2,4-triazole-5-thione
IUPAC NAME: 4-(4-nitroanilino)-3-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-[(4-nitrophenyl)amino]-3-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H11N5O2S
MOLECULAR WEIGHT: 313.33444
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2NC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl (1E)-N-carbamothioyl-2-phenyl-ethanehydrazonate
CAS Name: (1E)-N-carbamothioyl-2-phenylethanehydrazonic acid ethyl ester
IUPAC NAME: ethyl (1E)-N-carbamothioyl-2-phenylethanehydrazonate
SYSTEMATIC NAME: ethyl (1E)-N-carbamothioyl-2-phenyl-ethanehydrazonate
MOLECULAR FORMULA: C11H15N3OS
MOLECULAR WEIGHT: 237.3213
SMILES: CCO/C(=N/NC(=S)N)/CC1=CC=CC=C1
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Product OPENEYE NAME: ethyl (E)-N-carbamothioylbenzenecarbohydrazonate
CAS Name: (E)-N-carbamothioylbenzenecarbohydrazonic acid ethyl ester
IUPAC NAME: ethyl (E)-N-carbamothioylbenzenecarbohydrazonate
SYSTEMATIC NAME: ethyl (E)-N-carbamothioylbenzenecarbohydrazonate
MOLECULAR FORMULA: C10H13N3OS
MOLECULAR WEIGHT: 223.29472
SMILES: CCO/C(=N/NC(=S)N)/C1=CC=CC=C1
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Product OPENEYE NAME: ethyl (1E)-N-carbamothioyl-4-methyl-benzenecarbohydrazonate
CAS Name: (1E)-N-carbamothioyl-4-methylbenzenecarbohydrazonic acid ethyl ester
IUPAC NAME: ethyl (1E)-N-carbamothioyl-4-methylbenzenecarbohydrazonate
SYSTEMATIC NAME: ethyl (1E)-N-carbamothioyl-4-methyl-benzenecarbohydrazonate
MOLECULAR FORMULA: C11H15N3OS
MOLECULAR WEIGHT: 237.3213
SMILES: CCO/C(=N/NC(=S)N)/C1=CC=C(C=C1)C
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Product OPENEYE NAME: ethyl (1E)-N-carbamothioyl-4-methoxy-benzenecarbohydrazonate
CAS Name: (1E)-N-carbamothioyl-4-methoxybenzenecarbohydrazonic acid ethyl ester
IUPAC NAME: ethyl (1E)-N-carbamothioyl-4-methoxybenzenecarbohydrazonate
SYSTEMATIC NAME: ethyl (1E)-N-carbamothioyl-4-methoxy-benzenecarbohydrazonate
MOLECULAR FORMULA: C11H15N3O2S
MOLECULAR WEIGHT: 253.3207
SMILES: CCO/C(=N/NC(=S)N)/C1=CC=C(C=C1)OC
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Product OPENEYE NAME: ethyl (NE,Z)-N-[amino(propylsulfanyl)methylene]benzenecarbohydrazonate
CAS Name: (NE,Z)-N-[amino-(propylthio)methylidene]benzenecarbohydrazonic acid ethyl ester
IUPAC NAME: ethyl (NE,Z)-N-[amino(propylsulfanyl)methylidene]benzenecarbohydrazonate
SYSTEMATIC NAME: ethyl (NE,Z)-N-[azanyl(propylsulfanyl)methylidene]benzenecarbohydrazonate
MOLECULAR FORMULA: C13H19N3OS
MOLECULAR WEIGHT: 265.37446
SMILES: CCCS/C(=N/N=C(/C1=CC=CC=C1)\OCC)/N
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Product OPENEYE NAME: ethyl (NE,Z)-N-[amino(benzylsulfanyl)methylene]benzenecarbohydrazonate
CAS Name: (NE,Z)-N-[amino-(phenylmethylthio)methylidene]benzenecarbohydrazonic acid ethyl ester
IUPAC NAME: ethyl (NE,Z)-N-[amino(benzylsulfanyl)methylidene]benzenecarbohydrazonate
SYSTEMATIC NAME: ethyl (NE,Z)-N-[azanyl-(phenylmethylsulfanyl)methylidene]benzenecarbohydrazonate
MOLECULAR FORMULA: C17H19N3OS
MOLECULAR WEIGHT: 313.41726
SMILES: CCO/C(=N\N=C(/N)\SCC1=CC=CC=C1)/C2=CC=CC=C2
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Product OPENEYE NAME: ethyl (1E)-N-carbamothioylethanehydrazonate
CAS Name: (1E)-N-carbamothioylethanehydrazonic acid ethyl ester
IUPAC NAME: ethyl (1E)-N-carbamothioylethanehydrazonate
SYSTEMATIC NAME: ethyl (1E)-N-carbamothioylethanehydrazonate
MOLECULAR FORMULA: C5H11N3OS
MOLECULAR WEIGHT: 161.22534
SMILES: CCO/C(=N/NC(=S)N)/C
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