Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1-nitronaphthalene
CAS Name: 1-nitronaphthalene
IUPAC NAME: 1-nitronaphthalene
SYSTEMATIC NAME: 1-nitronaphthalene
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC=C2C(=C1)C=CC=C2[N+](=O)[O-]
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Product OPENEYE NAME: 7-aminonaphthalene-1-sulfonic acid
CAS Name: 7-amino-1-naphthalenesulfonic acid
IUPAC NAME: 7-aminonaphthalene-1-sulfonic acid
SYSTEMATIC NAME: 7-azanylnaphthalene-1-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC2=C(C=C(C=C2)N)C(=C1)S(=O)(=O)O
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Product OPENEYE NAME: 7-aminonaphthalene-1,3-disulfonic acid
CAS Name: 7-aminonaphthalene-1,3-disulfonic acid
IUPAC NAME: 7-aminonaphthalene-1,3-disulfonic acid
SYSTEMATIC NAME: 7-azanylnaphthalene-1,3-disulfonic acid
MOLECULAR FORMULA: C10H9NO6S2
MOLECULAR WEIGHT: 303.31156
SMILES: C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)N
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Product OPENEYE NAME: 4-(9H-carbazol-3-ylamino)phenol
CAS Name: 4-(9H-carbazol-3-ylamino)phenol
IUPAC NAME: 4-(9H-carbazol-3-ylamino)phenol
SYSTEMATIC NAME: 4-(9H-carbazol-3-ylamino)phenol
MOLECULAR FORMULA: C18H14N2O
MOLECULAR WEIGHT: 274.31656
SMILES: C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)NC4=CC=C(C=C4)O
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Product OPENEYE NAME: 9H-fluorene
CAS Name: 9H-fluorene
IUPAC NAME: 9H-fluorene
SYSTEMATIC NAME: 9H-fluorene
MOLECULAR FORMULA: C13H10
MOLECULAR WEIGHT: 166.2185
SMILES: C1C2=CC=CC=C2C3=CC=CC=C31
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Product OPENEYE NAME: 9H-carbazole
CAS Name: 9H-carbazole
IUPAC NAME: 9H-carbazole
SYSTEMATIC NAME: 9H-carbazole
MOLECULAR FORMULA: C12H9N
MOLECULAR WEIGHT: 167.20656
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3N2
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Product OPENEYE NAME: 8-quinolyl benzoate
CAS Name: benzoic acid 8-quinolinyl ester
IUPAC NAME: quinolin-8-yl benzoate
SYSTEMATIC NAME: quinolin-8-yl benzoate
MOLECULAR FORMULA: C16H11NO2
MOLECULAR WEIGHT: 249.26404
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC3=C2N=CC=C3
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Product OPENEYE NAME: 2-bromodibenzofuran
CAS Name: 2-bromodibenzofuran
IUPAC NAME: 2-bromodibenzofuran
SYSTEMATIC NAME: 2-bromanyldibenzofuran
MOLECULAR FORMULA: C12H7BrO
MOLECULAR WEIGHT: 247.08738
SMILES: C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)Br
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Product OPENEYE NAME: 2-[(3-butyl-1-isoquinolyl)oxy]-N,N-dimethyl-ethanamine
CAS Name: 2-[(3-butyl-1-isoquinolinyl)oxy]-N,N-dimethylethanamine
IUPAC NAME: 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-(3-butylisoquinolin-1-yl)oxy-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C17H24N2O
MOLECULAR WEIGHT: 272.38526
SMILES: CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)C
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Product OPENEYE NAME: 3,4,5-trimethoxybenzaldehyde
CAS Name: 3,4,5-trimethoxybenzaldehyde
IUPAC NAME: 3,4,5-trimethoxybenzaldehyde
SYSTEMATIC NAME: 3,4,5-trimethoxybenzaldehyde
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC(=CC(=C1OC)OC)C=O
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Product OPENEYE NAME: methylmercury(1+); quinolin-8-olate
CAS Name: methylmercury(1+); 8-quinolinolate
IUPAC NAME: methylmercury(1+); quinolin-8-olate
SYSTEMATIC NAME: methylmercury(1+); quinolin-8-olate
MOLECULAR FORMULA: C10H9HgNO
MOLECULAR WEIGHT: 359.77456
SMILES: C[Hg+].C1=CC2=C(C(=C1)[O-])N=CC=C2
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Product OPENEYE NAME: methylmercury(1+)
CAS Name: methylmercury(1+)
IUPAC NAME: methylmercury(1+)
SYSTEMATIC NAME: methylmercury(1+)
MOLECULAR FORMULA: CH3Hg+
MOLECULAR WEIGHT: 215.62452
SMILES: C[Hg+]
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Product OPENEYE NAME: 2-(1-naphthyl)acetamide
CAS Name: 2-(1-naphthalenyl)acetamide
IUPAC NAME: 2-naphthalen-1-ylacetamide
SYSTEMATIC NAME: 2-naphthalen-1-ylethanamide
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)N
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Product OPENEYE NAME: 2-(1-naphthyl)acetic acid
CAS Name: 2-(1-naphthalenyl)acetic acid
IUPAC NAME: 2-naphthalen-1-ylacetic acid
SYSTEMATIC NAME: 2-naphthalen-1-ylethanoic acid
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: C1=CC=C2C(=C1)C=CC=C2CC(=O)O
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Product OPENEYE NAME: 2-hydroxy-1H-quinolin-4-one
CAS Name: 2-hydroxy-1H-quinolin-4-one
IUPAC NAME: 2-hydroxy-1H-quinolin-4-one
SYSTEMATIC NAME: 2-oxidanyl-1H-quinolin-4-one
MOLECULAR FORMULA: C9H7NO2
MOLECULAR WEIGHT: 161.15738
SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)O
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Product OPENEYE NAME: 5-aminonaphthalen-2-ol
CAS Name: 5-amino-2-naphthalenol
IUPAC NAME: 5-aminonaphthalen-2-ol
SYSTEMATIC NAME: 5-azanylnaphthalen-2-ol
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: C1=CC2=C(C=CC(=C2)O)C(=C1)N
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Product OPENEYE NAME: 4,7-dichloroquinoline
CAS Name: 4,7-dichloroquinoline
IUPAC NAME: 4,7-dichloroquinoline
SYSTEMATIC NAME: 4,7-bis(chloranyl)quinoline
MOLECULAR FORMULA: C9H5Cl2N
MOLECULAR WEIGHT: 198.0487
SMILES: C1=CC2=C(C=CN=C2C=C1Cl)Cl
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Product OPENEYE NAME: 7-(dimethylamino)-4-methyl-chromen-2-one
CAS Name: 7-(dimethylamino)-4-methyl-1-benzopyran-2-one
IUPAC NAME: 7-(dimethylamino)-4-methylchromen-2-one
SYSTEMATIC NAME: 7-(dimethylamino)-4-methyl-chromen-2-one
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C
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Product OPENEYE NAME: 7-amino-4-hydroxy-naphthalene-2-sulfonic acid
CAS Name: 7-amino-4-hydroxy-2-naphthalenesulfonic acid
IUPAC NAME: 7-amino-4-hydroxynaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 7-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H9NO4S
MOLECULAR WEIGHT: 239.24776
SMILES: C1=CC2=C(C=C(C=C2C=C1N)S(=O)(=O)O)O
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Product OPENEYE NAME: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C16H18N2O5S
MOLECULAR WEIGHT: 350.38952
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O)C
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Product OPENEYE NAME: N-(4-methyl-5-oxo-dithiolo[4,3-b]pyrrol-6-yl)acetamide
CAS Name: N-(4-methyl-5-oxo-6-dithiolo[4,3-b]pyrrolyl)acetamide
IUPAC NAME: N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)acetamide
SYSTEMATIC NAME: N-(4-methyl-5-oxidanylidene-[1,2]dithiolo[4,3-b]pyrrol-6-yl)ethanamide
MOLECULAR FORMULA: C8H8N2O2S2
MOLECULAR WEIGHT: 228.29132
SMILES: CC(=O)NC1=C2C(=CSS2)N(C1=O)C
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