Wednesday, July 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4-amino-5-hydroxy-naphthalene-2,7-disulfonic acid
CAS Name: 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
IUPAC NAME: 4-amino-5-hydroxynaphthalene-2,7-disulfonic acid
SYSTEMATIC NAME: 4-azanyl-5-oxidanyl-naphthalene-2,7-disulfonic acid
MOLECULAR FORMULA: C10H9NO7S2
MOLECULAR WEIGHT: 319.31096
SMILES: C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)N)O)S(=O)(=O)O
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Product OPENEYE NAME: diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]ammonium bromide
CAS Name: diethyl-methyl-[2-(3-methyl-1-oxo-2-phenylpentoxy)ethyl]ammonium bromide
IUPAC NAME: diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium bromide
SYSTEMATIC NAME: diethyl-methyl-[2-(3-methyl-2-phenyl-pentanoyl)oxyethyl]azanium bromide
MOLECULAR FORMULA: C19H32BrNO2
MOLECULAR WEIGHT: 386.36688
SMILES: CCC(C)C(C1=CC=CC=C1)C(=O)OCC[N+](C)(CC)CC.[Br-]
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Product OPENEYE NAME: 2-phenylbutanamide
CAS Name: 2-phenylbutanamide
IUPAC NAME: 2-phenylbutanamide
SYSTEMATIC NAME: 2-phenylbutanamide
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CCC(C1=CC=CC=C1)C(=O)N
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Product OPENEYE NAME: 2-phenylbutanoic acid
CAS Name: 2-phenylbutanoic acid
IUPAC NAME: 2-phenylbutanoic acid
SYSTEMATIC NAME: 2-phenylbutanoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CCC(C1=CC=CC=C1)C(=O)O
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Product OPENEYE NAME: N-phenylnaphthalen-1-amine
CAS Name: N-phenyl-1-naphthalenamine
IUPAC NAME: N-phenylnaphthalen-1-amine
SYSTEMATIC NAME: N-phenylnaphthalen-1-amine
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H26N2
MOLECULAR WEIGHT: 234.38034
SMILES: C1CCN2C[C@H]3C[C@@H]([C@H]2C1)CN4[C@H]3CCCC4
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Product OPENEYE NAME: 2-phenylaniline
CAS Name: 2-phenylaniline
IUPAC NAME: 2-phenylaniline
SYSTEMATIC NAME: 2-phenylaniline
MOLECULAR FORMULA: C12H11N
MOLECULAR WEIGHT: 169.22244
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2N
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Product OPENEYE NAME: 2-cyclohexylcyclohexanone
CAS Name: 2-cyclohexyl-1-cyclohexanone
IUPAC NAME: 2-cyclohexylcyclohexan-1-one
SYSTEMATIC NAME: 2-cyclohexylcyclohexan-1-one
MOLECULAR FORMULA: C12H20O
MOLECULAR WEIGHT: 180.2866
SMILES: C1CCC(CC1)C2CCCCC2=O
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Product OPENEYE NAME: 2-phenylphenol
CAS Name: 2-phenylphenol
IUPAC NAME: 2-phenylphenol
SYSTEMATIC NAME: 2-phenylphenol
MOLECULAR FORMULA: C12H10O
MOLECULAR WEIGHT: 170.2072
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2O
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Product OPENEYE NAME: 10H-anthracen-9-one
CAS Name: 10H-anthracen-9-one
IUPAC NAME: 10H-anthracen-9-one
SYSTEMATIC NAME: 10H-anthracen-9-one
MOLECULAR FORMULA: C14H10O
MOLECULAR WEIGHT: 194.2286
SMILES: C1C2=CC=CC=C2C(=O)C3=CC=CC=C31
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Product OPENEYE NAME: acridin-9-amine
CAS Name: 9-acridinamine
IUPAC NAME: acridin-9-amine
SYSTEMATIC NAME: acridin-9-amine
MOLECULAR FORMULA: C13H10N2
MOLECULAR WEIGHT: 194.2319
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N
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Product OPENEYE NAME: xanthen-9-one
CAS Name: 9-xanthenone
IUPAC NAME: xanthen-9-one
SYSTEMATIC NAME: xanthen-9-one
MOLECULAR FORMULA: C13H8O2
MOLECULAR WEIGHT: 196.20142
SMILES: C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2
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Product OPENEYE NAME: 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CAS Name: 3-(3,4,5-trimethoxyphenyl)-2-propenoic acid
IUPAC NAME: 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)O
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Product OPENEYE NAME: 6-amino-4-hydroxy-naphthalene-2-sulfonic acid
CAS Name: 6-amino-4-hydroxy-2-naphthalenesulfonic acid
IUPAC NAME: 6-amino-4-hydroxynaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 6-azanyl-4-oxidanyl-naphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H9NO4S
MOLECULAR WEIGHT: 239.24776
SMILES: C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)O)N
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Product OPENEYE NAME: 6-methoxyquinolin-8-amine
CAS Name: 6-methoxy-8-quinolinamine
IUPAC NAME: 6-methoxyquinolin-8-amine
SYSTEMATIC NAME: 6-methoxyquinolin-8-amine
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: COC1=CC(=C2C(=C1)C=CC=N2)N
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Product OPENEYE NAME: 3,5-dibromo-2-hydroxy-benzaldehyde
CAS Name: 3,5-dibromo-2-hydroxybenzaldehyde
IUPAC NAME: 3,5-dibromo-2-hydroxybenzaldehyde
SYSTEMATIC NAME: 3,5-bis(bromanyl)-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H4Br2O2
MOLECULAR WEIGHT: 279.91346
SMILES: C1=C(C=C(C(=C1Br)O)C=O)Br
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Product OPENEYE NAME: 3-methoxy-5-methyl-4-oxo-hexa-2,5-dienoic acid
CAS Name: 3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
IUPAC NAME: 3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
SYSTEMATIC NAME: 3-methoxy-5-methyl-4-oxidanylidene-hexa-2,5-dienoic acid
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: CC(=C)C(=O)C(=CC(=O)O)OC
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Product OPENEYE NAME: 2,4,6-tris[(dimethylamino)methyl]phenol
CAS Name: 2,4,6-tris[(dimethylamino)methyl]phenol
IUPAC NAME: 2,4,6-tris[(dimethylamino)methyl]phenol
SYSTEMATIC NAME: 2,4,6-tris[(dimethylamino)methyl]phenol
MOLECULAR FORMULA: C15H27N3O
MOLECULAR WEIGHT: 265.39438
SMILES: CN(C)CC1=CC(=C(C(=C1)CN(C)C)O)CN(C)C
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Product OPENEYE NAME: (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-one
CAS Name: (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanone
IUPAC NAME: (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
SYSTEMATIC NAME: (3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
MOLECULAR FORMULA: C6H10O6
MOLECULAR WEIGHT: 178.14
SMILES: C([C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O)O
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