Thursday, August 11, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,1-dichloroheptane
CAS Name: 1,1-dichloroheptane
IUPAC NAME: 1,1-dichloroheptane
SYSTEMATIC NAME: 1,1-bis(chloranyl)heptane
MOLECULAR FORMULA: C7H14Cl2
MOLECULAR WEIGHT: 169.09206
SMILES: CCCCCCC(Cl)Cl
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Product OPENEYE NAME: tetradecanedioic acid
CAS Name: tetradecanedioic acid
IUPAC NAME: tetradecanedioic acid
SYSTEMATIC NAME: tetradecanedioic acid
MOLECULAR FORMULA: C14H26O4
MOLECULAR WEIGHT: 258.35384
SMILES: C(CCCCCCC(=O)O)CCCCCC(=O)O
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Product OPENEYE NAME: bis(2-chloroethyl)ammonium chloride
CAS Name: bis(2-chloroethyl)ammonium chloride
IUPAC NAME: bis(2-chloroethyl)azanium chloride
SYSTEMATIC NAME: bis(2-chloroethyl)azanium chloride
MOLECULAR FORMULA: C4H10Cl3N
MOLECULAR WEIGHT: 178.4879
SMILES: C(CCl)[NH2+]CCCl.[Cl-]
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Product OPENEYE NAME: nonan-2-one
CAS Name: 2-nonanone
IUPAC NAME: nonan-2-one
SYSTEMATIC NAME: nonan-2-one
MOLECULAR FORMULA: C9H18O
MOLECULAR WEIGHT: 142.23862
SMILES: CCCCCCCC(=O)C
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Product OPENEYE NAME: 7-chloroheptanoic acid
CAS Name: 7-chloroheptanoic acid
IUPAC NAME: 7-chloroheptanoic acid
SYSTEMATIC NAME: 7-chloranylheptanoic acid
MOLECULAR FORMULA: C7H13ClO2
MOLECULAR WEIGHT: 164.62992
SMILES: C(CCCCl)CCC(=O)O
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Product OPENEYE NAME: 1,1-dichlorononane
CAS Name: 1,1-dichlorononane
IUPAC NAME: 1,1-dichlorononane
SYSTEMATIC NAME: 1,1-bis(chloranyl)nonane
MOLECULAR FORMULA: C9H18Cl2
MOLECULAR WEIGHT: 197.14522
SMILES: CCCCCCCCC(Cl)Cl
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Product OPENEYE NAME: undec-1-ene
CAS Name: 1-undecene
IUPAC NAME: undec-1-ene
SYSTEMATIC NAME: undec-1-ene
MOLECULAR FORMULA: C11H22
MOLECULAR WEIGHT: 154.29238
SMILES: CCCCCCCCCC=C
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Product OPENEYE NAME: 1,9-dichlorononane
CAS Name: 1,9-dichlorononane
IUPAC NAME: 1,9-dichlorononane
SYSTEMATIC NAME: 1,9-bis(chloranyl)nonane
MOLECULAR FORMULA: C9H18Cl2
MOLECULAR WEIGHT: 197.14522
SMILES: C(CCCCCl)CCCCCl
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Product OPENEYE NAME: 1,6-diisocyanatohexane
CAS Name: 1,6-diisocyanatohexane
IUPAC NAME: 1,6-diisocyanatohexane
SYSTEMATIC NAME: 1,6-diisocyanatohexane
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: C(CCCN=C=O)CCN=C=O
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Product OPENEYE NAME: 1-chlorotridecane
CAS Name: 1-chlorotridecane
IUPAC NAME: 1-chlorotridecane
SYSTEMATIC NAME: 1-chloranyltridecane
MOLECULAR FORMULA: C13H27Cl
MOLECULAR WEIGHT: 218.80648
SMILES: CCCCCCCCCCCCCCl
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Product OPENEYE NAME: 5-methyl-1H-imidazole
CAS Name: 5-methyl-1H-imidazole
IUPAC NAME: 5-methyl-1H-imidazole
SYSTEMATIC NAME: 5-methyl-1H-imidazole
MOLECULAR FORMULA: C4H6N2
MOLECULAR WEIGHT: 82.10384
SMILES: CC1=CN=CN1
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Product OPENEYE NAME: 1,3-dithiolane-2-thione
CAS Name: 1,3-dithiolane-2-thione
IUPAC NAME: 1,3-dithiolane-2-thione
SYSTEMATIC NAME: 1,3-dithiolane-2-thione
MOLECULAR FORMULA: C3H4S3
MOLECULAR WEIGHT: 136.25886
SMILES: C1CSC(=S)S1
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Product OPENEYE NAME: (2R)-1,2-dimethylcyclopentane
CAS Name: (2R)-1,2-dimethylcyclopentane
IUPAC NAME: (2R)-1,2-dimethylcyclopentane
SYSTEMATIC NAME: (2R)-1,2-dimethylcyclopentane
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: C[C@@H]1CCCC1C
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Product OPENEYE NAME: cyclohex-2-en-1-ol
CAS Name: 1-cyclohex-2-enol
IUPAC NAME: cyclohex-2-en-1-ol
SYSTEMATIC NAME: cyclohex-2-en-1-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C1CC=CC(C1)O
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Product OPENEYE NAME: cyclohexylphosphane
CAS Name: cyclohexylphosphine
IUPAC NAME: cyclohexylphosphane
SYSTEMATIC NAME: cyclohexylphosphane
MOLECULAR FORMULA: C6H13P
MOLECULAR WEIGHT: 116.141181
SMILES: C1CCC(CC1)P
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Product OPENEYE NAME: bicyclo[2.2.1]hepta-2,5-dien-7-ol
CAS Name: 7-bicyclo[2.2.1]hepta-2,5-dienol
IUPAC NAME: bicyclo[2.2.1]hepta-2,5-dien-7-ol
SYSTEMATIC NAME: bicyclo[2.2.1]hepta-2,5-dien-7-ol
MOLECULAR FORMULA: C7H8O
MOLECULAR WEIGHT: 108.13782
SMILES: C1=CC2C=CC1C2O
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Product OPENEYE NAME: 2-isopropyl-1,3-dioxolane
CAS Name: 2-propan-2-yl-1,3-dioxolane
IUPAC NAME: 2-propan-2-yl-1,3-dioxolane
SYSTEMATIC NAME: 2-propan-2-yl-1,3-dioxolane
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CC(C)C1OCCO1
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Product OPENEYE NAME: 1,2-dichlorocyclohexane
CAS Name: 1,2-dichlorocyclohexane
IUPAC NAME: 1,2-dichlorocyclohexane
SYSTEMATIC NAME: 1,2-bis(chloranyl)cyclohexane
MOLECULAR FORMULA: C6H10Cl2
MOLECULAR WEIGHT: 153.0496
SMILES: C1CCC(C(C1)Cl)Cl
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Product OPENEYE NAME: 2-chlorocyclohexanone
CAS Name: 2-chloro-1-cyclohexanone
IUPAC NAME: 2-chlorocyclohexan-1-one
SYSTEMATIC NAME: 2-chloranylcyclohexan-1-one
MOLECULAR FORMULA: C6H9ClO
MOLECULAR WEIGHT: 132.58806
SMILES: C1CCC(=O)C(C1)Cl
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Product OPENEYE NAME: 6-methyltetrahydropyran-2-one
CAS Name: 6-methyl-2-oxanone
IUPAC NAME: 6-methyloxan-2-one
SYSTEMATIC NAME: 6-methyloxan-2-one
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC1CCCC(=O)O1
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