Wednesday, August 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (6-methoxytetralin-2-yl)ammonium chloride
CAS Name: (6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ammonium chloride
IUPAC NAME: (6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride
SYSTEMATIC NAME: (6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride
MOLECULAR FORMULA: C11H16ClNO
MOLECULAR WEIGHT: 213.70384
SMILES: COC1=CC2=C(CC(CC2)[NH3+])C=C1.[Cl-]
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Product OPENEYE NAME: 6-methoxytetralin-2-amine
CAS Name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
IUPAC NAME: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SYSTEMATIC NAME: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: COC1=CC2=C(CC(CC2)N)C=C1
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Product OPENEYE NAME: 1-nitro-2-styryl-benzene
CAS Name: 1-nitro-2-(2-phenylethenyl)benzene
IUPAC NAME: 1-nitro-2-(2-phenylethenyl)benzene
SYSTEMATIC NAME: 1-nitro-2-(2-phenylethenyl)benzene
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)C=CC2=CC=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: 1,3,4-thiadiazol-2-amine
CAS Name: 1,3,4-thiadiazol-2-amine
IUPAC NAME: 1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C2H3N3S
MOLECULAR WEIGHT: 101.13032
SMILES: C1=NN=C(S1)N
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Product OPENEYE NAME: 5-nitroquinolin-8-ol
CAS Name: 5-nitro-8-quinolinol
IUPAC NAME: 5-nitroquinolin-8-ol
SYSTEMATIC NAME: 5-nitroquinolin-8-ol
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]
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Product OPENEYE NAME: 1-methoxyethylbenzene
CAS Name: 1-methoxyethylbenzene
IUPAC NAME: 1-methoxyethylbenzene
SYSTEMATIC NAME: 1-methoxyethylbenzene
MOLECULAR FORMULA: C9H12O
MOLECULAR WEIGHT: 136.19098
SMILES: CC(C1=CC=CC=C1)OC
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Product OPENEYE NAME: pyridine-3-carbonyl azide
CAS Name: azido(3-pyridinyl)methanone
IUPAC NAME: pyridine-3-carbonyl azide
SYSTEMATIC NAME: azido(pyridin-3-yl)methanone
MOLECULAR FORMULA: C6H4N4O
MOLECULAR WEIGHT: 148.12216
SMILES: C1=CC(=CN=C1)C(=O)N=[N+]=[N-]
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Product OPENEYE NAME: 3-(diazoniocarbamoyl)pyridine
CAS Name: 3-[(diazonioamino)-oxomethyl]pyridine
IUPAC NAME: 3-(diazoniocarbamoyl)pyridine
SYSTEMATIC NAME: 3-(diazoniocarbamoyl)pyridine
MOLECULAR FORMULA: C6H5N4O+
MOLECULAR WEIGHT: 149.1301
SMILES: C1=CC(=CN=C1)C(=O)N[N+]#N
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Product OPENEYE NAME: 1,5-dimethylhexyl(isopropyl)ammonium chloride
CAS Name: 6-methylheptan-2-yl(propan-2-yl)ammonium chloride
IUPAC NAME: 6-methylheptan-2-yl(propan-2-yl)azanium chloride
SYSTEMATIC NAME: 6-methylheptan-2-yl(propan-2-yl)azanium chloride
MOLECULAR FORMULA: C11H26ClN
MOLECULAR WEIGHT: 207.78384
SMILES: CC(C)CCCC(C)[NH2+]C(C)C.[Cl-]
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Product OPENEYE NAME: N-isopropyl-6-methyl-heptan-2-amine
CAS Name: 6-methyl-N-propan-2-yl-2-heptanamine
IUPAC NAME: 6-methyl-N-propan-2-ylheptan-2-amine
SYSTEMATIC NAME: 6-methyl-N-propan-2-yl-heptan-2-amine
MOLECULAR FORMULA: C11H25N
MOLECULAR WEIGHT: 171.3229
SMILES: CC(C)CCCC(C)NC(C)C
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Product OPENEYE NAME: 4-ethyl-6,7-dimethoxy-quinazoline
CAS Name: 4-ethyl-6,7-dimethoxyquinazoline
IUPAC NAME: 4-ethyl-6,7-dimethoxyquinazoline
SYSTEMATIC NAME: 4-ethyl-6,7-dimethoxy-quinazoline
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CCC1=NC=NC2=CC(=C(C=C21)OC)OC
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Product OPENEYE NAME: 2-(ethoxymethyl)oxirane
CAS Name: 2-(ethoxymethyl)oxirane
IUPAC NAME: 2-(ethoxymethyl)oxirane
SYSTEMATIC NAME: 2-(ethoxymethyl)oxirane
MOLECULAR FORMULA: C5H10O2
MOLECULAR WEIGHT: 102.1317
SMILES: CCOCC1CO1
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Product OPENEYE NAME: 2-(isopropoxymethyl)oxirane
CAS Name: 2-(propan-2-yloxymethyl)oxirane
IUPAC NAME: 2-(propan-2-yloxymethyl)oxirane
SYSTEMATIC NAME: 2-(propan-2-yloxymethyl)oxirane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(C)OCC1CO1
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Product OPENEYE NAME: 1-methoxy-1-oxo-dodecane-2-sulfonic acid
CAS Name: 1-methoxy-1-oxo-2-dodecanesulfonic acid
IUPAC NAME: 1-methoxy-1-oxododecane-2-sulfonic acid
SYSTEMATIC NAME: 1-methoxy-1-oxidanylidene-dodecane-2-sulfonic acid
MOLECULAR FORMULA: C13H26O5S
MOLECULAR WEIGHT: 294.40754
SMILES: CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O
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Product OPENEYE NAME: 1-methoxy-1-oxo-tetradecane-2-sulfonic acid
CAS Name: 1-methoxy-1-oxo-2-tetradecanesulfonic acid
IUPAC NAME: 1-methoxy-1-oxotetradecane-2-sulfonic acid
SYSTEMATIC NAME: 1-methoxy-1-oxidanylidene-tetradecane-2-sulfonic acid
MOLECULAR FORMULA: C15H30O5S
MOLECULAR WEIGHT: 322.4607
SMILES: CCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O
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Product OPENEYE NAME: 1-ethoxy-1-oxo-hexadecane-2-sulfonic acid
CAS Name: 1-ethoxy-1-oxo-2-hexadecanesulfonic acid
IUPAC NAME: 1-ethoxy-1-oxohexadecane-2-sulfonic acid
SYSTEMATIC NAME: 1-ethoxy-1-oxidanylidene-hexadecane-2-sulfonic acid
MOLECULAR FORMULA: C18H36O5S
MOLECULAR WEIGHT: 364.54044
SMILES: CCCCCCCCCCCCCCC(C(=O)OCC)S(=O)(=O)O
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Product OPENEYE NAME: 1-tert-butylaziridine
CAS Name: 1-tert-butylaziridine
IUPAC NAME: 1-tert-butylaziridine
SYSTEMATIC NAME: 1-tert-butylaziridine
MOLECULAR FORMULA: C6H13N
MOLECULAR WEIGHT: 99.17412
SMILES: CC(C)(C)N1CC1
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Product OPENEYE NAME: 3-chlorobenzene-1,2-diol
CAS Name: 3-chlorobenzene-1,2-diol
IUPAC NAME: 3-chlorobenzene-1,2-diol
SYSTEMATIC NAME: 3-chloranylbenzene-1,2-diol
MOLECULAR FORMULA: C6H5ClO2
MOLECULAR WEIGHT: 144.5557
SMILES: C1=CC(=C(C(=C1)Cl)O)O
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Product OPENEYE NAME: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxy-benzamide
CAS Name: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxybenzamide
IUPAC NAME: 5-chloro-N,3-bis(4-chlorophenyl)-2-hydroxybenzamide
SYSTEMATIC NAME: 5-chloranyl-N,3-bis(4-chlorophenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C19H12Cl3NO2
MOLECULAR WEIGHT: 392.66308
SMILES: C1=CC(=CC=C1C2=CC(=CC(=C2O)C(=O)NC3=CC=C(C=C3)Cl)Cl)Cl
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Product OPENEYE NAME: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
CAS Name: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-phenyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H15N5
MOLECULAR WEIGHT: 217.2703
SMILES: CC1(N=C(N=C(N1C2=CC=CC=C2)N)N)C
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Product OPENEYE NAME: 2-(4-chlorophenyl)-1-(diaminomethylene)guanidine
CAS Name: 2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine
IUPAC NAME: 2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(4-chlorophenyl)guanidine
MOLECULAR FORMULA: C8H10ClN5
MOLECULAR WEIGHT: 211.6515
SMILES: C1=CC(=CC=C1N=C(N)N=C(N)N)Cl
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Product OPENEYE NAME: dimethyl-[2-[phenyl(p-tolyl)methoxy]ethyl]ammonium chloride
CAS Name: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]ammonium chloride
IUPAC NAME: dimethyl-[2-[(4-methylphenyl)-phenylmethoxy]ethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-[(4-methylphenyl)-phenyl-methoxy]ethyl]azanium chloride
MOLECULAR FORMULA: C18H24ClNO
MOLECULAR WEIGHT: 305.84226
SMILES: CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC[NH+](C)C.[Cl-]
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