Friday, July 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2-phenoxyethoxy)ethanol
CAS Name: 2-(2-phenoxyethoxy)ethanol
IUPAC NAME: 2-(2-phenoxyethoxy)ethanol
SYSTEMATIC NAME: 2-(2-phenoxyethoxy)ethanol
MOLECULAR FORMULA: C10H14O3
MOLECULAR WEIGHT: 182.21636
SMILES: C1=CC=C(C=C1)OCCOCCO
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Product OPENEYE NAME: decylbenzene
CAS Name: decylbenzene
IUPAC NAME: decylbenzene
SYSTEMATIC NAME: decylbenzene
MOLECULAR FORMULA: C16H26
MOLECULAR WEIGHT: 218.37764
SMILES: CCCCCCCCCCC1=CC=CC=C1
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Product OPENEYE NAME: 1-dodecylpyridin-1-ium chloride
CAS Name: 1-dodecylpyridin-1-ium chloride
IUPAC NAME: 1-dodecylpyridin-1-ium chloride
SYSTEMATIC NAME: 1-dodecylpyridin-1-ium chloride
MOLECULAR FORMULA: C17H30ClN
MOLECULAR WEIGHT: 283.8798
SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: 1-dodecylpyridin-1-ium
CAS Name: 1-dodecylpyridin-1-ium
IUPAC NAME: 1-dodecylpyridin-1-ium
SYSTEMATIC NAME: 1-dodecylpyridin-1-ium
MOLECULAR FORMULA: C17H30N+
MOLECULAR WEIGHT: 248.4268
SMILES: CCCCCCCCCCCC[N+]1=CC=CC=C1
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Product OPENEYE NAME: 2-ethylhexan-1-amine
CAS Name: 2-ethyl-1-hexanamine
IUPAC NAME: 2-ethylhexan-1-amine
SYSTEMATIC NAME: 2-ethylhexan-1-amine
MOLECULAR FORMULA: C8H19N
MOLECULAR WEIGHT: 129.24316
SMILES: CCCCC(CC)CN
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Product OPENEYE NAME: 2-ethylhexan-1-ol
CAS Name: 2-ethyl-1-hexanol
IUPAC NAME: 2-ethylhexan-1-ol
SYSTEMATIC NAME: 2-ethylhexan-1-ol
MOLECULAR FORMULA: C8H18O
MOLECULAR WEIGHT: 130.22792
SMILES: CCCCC(CC)CO
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Product OPENEYE NAME: 1-(bromomethyl)-4-methyl-benzene
CAS Name: 1-(bromomethyl)-4-methylbenzene
IUPAC NAME: 1-(bromomethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(bromomethyl)-4-methyl-benzene
MOLECULAR FORMULA: C8H9Br
MOLECULAR WEIGHT: 185.06106
SMILES: CC1=CC=C(C=C1)CBr
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Product OPENEYE NAME: 1-(chloromethyl)-4-methyl-benzene
CAS Name: 1-(chloromethyl)-4-methylbenzene
IUPAC NAME: 1-(chloromethyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(chloromethyl)-4-methyl-benzene
MOLECULAR FORMULA: C8H9Cl
MOLECULAR WEIGHT: 140.61006
SMILES: CC1=CC=C(C=C1)CCl
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Product OPENEYE NAME: 1-chloro-4-(chloromethyl)benzene
CAS Name: 1-chloro-4-(chloromethyl)benzene
IUPAC NAME: 1-chloro-4-(chloromethyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-(chloromethyl)benzene
MOLECULAR FORMULA: C7H6Cl2
MOLECULAR WEIGHT: 161.02854
SMILES: C1=CC(=CC=C1CCl)Cl
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Product OPENEYE NAME: 4-methylbenzonitrile
CAS Name: 4-methylbenzonitrile
IUPAC NAME: 4-methylbenzonitrile
SYSTEMATIC NAME: 4-methylbenzenecarbonitrile
MOLECULAR FORMULA: C8H7N
MOLECULAR WEIGHT: 117.14788
SMILES: CC1=CC=C(C=C1)C#N
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Product OPENEYE NAME: 4-methylbenzaldehyde
CAS Name: 4-methylbenzaldehyde
IUPAC NAME: 4-methylbenzaldehyde
SYSTEMATIC NAME: 4-methylbenzaldehyde
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: CC1=CC=C(C=C1)C=O
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Product OPENEYE NAME: 4-chlorobenzaldehyde
CAS Name: 4-chlorobenzaldehyde
IUPAC NAME: 4-chlorobenzaldehyde
SYSTEMATIC NAME: 4-chloranylbenzaldehyde
MOLECULAR FORMULA: C7H5ClO
MOLECULAR WEIGHT: 140.567
SMILES: C1=CC(=CC=C1C=O)Cl
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Product OPENEYE NAME: 5-ethyl-2-methyl-piperidine
CAS Name: 5-ethyl-2-methylpiperidine
IUPAC NAME: 5-ethyl-2-methylpiperidine
SYSTEMATIC NAME: 5-ethyl-2-methyl-piperidine
MOLECULAR FORMULA: C8H17N
MOLECULAR WEIGHT: 127.22728
SMILES: CCC1CCC(NC1)C
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Product OPENEYE NAME: 5-ethyl-2-methyl-pyridine
CAS Name: 5-ethyl-2-methylpyridine
IUPAC NAME: 5-ethyl-2-methylpyridine
SYSTEMATIC NAME: 5-ethyl-2-methyl-pyridine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CCC1=CN=C(C=C1)C
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Product OPENEYE NAME: 4-nitrosophenol
CAS Name: 4-nitrosophenol
IUPAC NAME: 4-nitrosophenol
SYSTEMATIC NAME: 4-nitrosophenol
MOLECULAR FORMULA: C6H5NO2
MOLECULAR WEIGHT: 123.1094
SMILES: C1=CC(=CC=C1N=O)O
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Product OPENEYE NAME: 1-bromo-4-methoxy-benzene
CAS Name: 1-bromo-4-methoxybenzene
IUPAC NAME: 1-bromo-4-methoxybenzene
SYSTEMATIC NAME: 1-bromanyl-4-methoxy-benzene
MOLECULAR FORMULA: C7H7BrO
MOLECULAR WEIGHT: 187.03388
SMILES: COC1=CC=C(C=C1)Br
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Product OPENEYE NAME: 1-methoxy-4-methyl-benzene
CAS Name: 1-methoxy-4-methylbenzene
IUPAC NAME: 1-methoxy-4-methylbenzene
SYSTEMATIC NAME: 1-methoxy-4-methyl-benzene
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC1=CC=C(C=C1)OC
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