Friday, August 12, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-propyloxirane
CAS Name: 2-propyloxirane
IUPAC NAME: 2-propyloxirane
SYSTEMATIC NAME: 2-propyloxirane
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CCCC1CO1
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Product OPENEYE NAME: 1H-pyrrole-2-carbaldehyde
CAS Name: 1H-pyrrole-2-carboxaldehyde
IUPAC NAME: 1H-pyrrole-2-carbaldehyde
SYSTEMATIC NAME: 1H-pyrrole-2-carbaldehyde
MOLECULAR FORMULA: C5H5NO
MOLECULAR WEIGHT: 95.0993
SMILES: C1=CNC(=C1)C=O
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Product OPENEYE NAME: 2,5-dimethyltetrahydrofuran
CAS Name: 2,5-dimethyloxolane
IUPAC NAME: 2,5-dimethyloxolane
SYSTEMATIC NAME: 2,5-dimethyloxolane
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CC1CCC(O1)C
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Product OPENEYE NAME: ethylidenecyclohexane
CAS Name: ethylidenecyclohexane
IUPAC NAME: ethylidenecyclohexane
SYSTEMATIC NAME: ethylidenecyclohexane
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC=C1CCCCC1
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Product OPENEYE NAME: 4-methyl-1-oxido-pyridin-1-ium
CAS Name: 4-methyl-1-oxidopyridin-1-ium
IUPAC NAME: 4-methyl-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 4-methyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: CC1=CC=[N+](C=C1)[O-]
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Product OPENEYE NAME: 3-methyl-1-oxido-pyridin-1-ium
CAS Name: 3-methyl-1-oxidopyridin-1-ium
IUPAC NAME: 3-methyl-1-oxidopyridin-1-ium
SYSTEMATIC NAME: 3-methyl-1-oxidanidyl-pyridin-1-ium
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: CC1=C[N+](=CC=C1)[O-]
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Product OPENEYE NAME: 4,4-dimethyl-1,3,2-dioxathiane 2-oxide
CAS Name: 4,4-dimethyl-1,3,2-dioxathiane 2-oxide
IUPAC NAME: 4,4-dimethyl-1,3,2-dioxathiane 2-oxide
SYSTEMATIC NAME: 4,4-dimethyl-1,3,2-dioxathiane 2-oxide
MOLECULAR FORMULA: C5H10O3S
MOLECULAR WEIGHT: 150.1961
SMILES: CC1(CCOS(=O)O1)C
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Product OPENEYE NAME: (4-methylenecyclohexyl)methanol
CAS Name: (4-methylenecyclohexyl)methanol
IUPAC NAME: (4-methylidenecyclohexyl)methanol
SYSTEMATIC NAME: (4-methylidenecyclohexyl)methanol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: C=C1CCC(CC1)CO
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Product OPENEYE NAME: 2-butyltetrahydrofuran
CAS Name: 2-butyloxolane
IUPAC NAME: 2-butyloxolane
SYSTEMATIC NAME: 2-butyloxolane
MOLECULAR FORMULA: C8H16O
MOLECULAR WEIGHT: 128.21204
SMILES: CCCCC1CCCO1
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Product OPENEYE NAME: 2,6-dimethylpyran-4-one
CAS Name: 2,6-dimethyl-4-pyranone
IUPAC NAME: 2,6-dimethylpyran-4-one
SYSTEMATIC NAME: 2,6-dimethylpyran-4-one
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: CC1=CC(=O)C=C(O1)C
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Product OPENEYE NAME: pyrimidine-2,4,6-triamine
CAS Name: pyrimidine-2,4,6-triamine
IUPAC NAME: pyrimidine-2,4,6-triamine
SYSTEMATIC NAME: pyrimidine-2,4,6-triamine
MOLECULAR FORMULA: C4H7N5
MOLECULAR WEIGHT: 125.13188
SMILES: C1=C(N=C(N=C1N)N)N
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Product OPENEYE NAME: (4-hydroxyphenyl)-dimethyl-sulfonium chloride
CAS Name: (4-hydroxyphenyl)-dimethylsulfonium chloride
IUPAC NAME: (4-hydroxyphenyl)-dimethylsulfanium chloride
SYSTEMATIC NAME: (4-hydroxyphenyl)-dimethyl-sulfanium chloride
MOLECULAR FORMULA: C8H11ClOS
MOLECULAR WEIGHT: 190.69034
SMILES: C[S+](C)C1=CC=C(C=C1)O.[Cl-]
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