Friday, August 5, 2011

All Chemical Compounds Information




Product OPENEYE NAME: ethyl thiocyanate
CAS Name: thiocyanic acid ethyl ester
IUPAC NAME: ethyl thiocyanate
SYSTEMATIC NAME: ethyl thiocyanate
MOLECULAR FORMULA: C3H5NS
MOLECULAR WEIGHT: 87.1435
SMILES: CCSC#N
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Product OPENEYE NAME: 6-amino-2-methyl-heptan-2-ol hydrochloride
CAS Name: 6-amino-2-methyl-2-heptanol hydrochloride
IUPAC NAME: 6-amino-2-methylheptan-2-ol hydrochloride
SYSTEMATIC NAME: 6-azanyl-2-methyl-heptan-2-ol hydrochloride
MOLECULAR FORMULA: C8H20ClNO
MOLECULAR WEIGHT: 181.7035
SMILES: CC(CCCC(C)(C)O)N.Cl
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Product OPENEYE NAME: butanedioyl dichloride
CAS Name: butanedioyl dichloride
IUPAC NAME: butanedioyl dichloride
SYSTEMATIC NAME: butanedioyl dichloride
MOLECULAR FORMULA: C4H4Cl2O2
MOLECULAR WEIGHT: 154.97936
SMILES: C(CC(=O)Cl)C(=O)Cl
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Product OPENEYE NAME: but-2-ynediamide
CAS Name: 2-butynediamide
IUPAC NAME: but-2-ynediamide
SYSTEMATIC NAME: but-2-ynediamide
MOLECULAR FORMULA: C4H4N2O2
MOLECULAR WEIGHT: 112.08676
SMILES: C(#CC(=O)N)C(=O)N
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Product OPENEYE NAME: 2-acetamidoacetic acid
CAS Name: 2-acetamidoacetic acid
IUPAC NAME: 2-acetamidoacetic acid
SYSTEMATIC NAME: 2-acetamidoethanoic acid
MOLECULAR FORMULA: C4H7NO3
MOLECULAR WEIGHT: 117.10328
SMILES: CC(=O)NCC(=O)O
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Product OPENEYE NAME: isobutyl carbamate
CAS Name: carbamic acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl carbamate
SYSTEMATIC NAME: 2-methylpropyl carbamate
MOLECULAR FORMULA: C5H11NO2
MOLECULAR WEIGHT: 117.14634
SMILES: CC(C)COC(=O)N
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Product OPENEYE NAME: isobutyl nitrate
CAS Name: nitric acid 2-methylpropyl ester
IUPAC NAME: 2-methylpropyl nitrate
SYSTEMATIC NAME: 2-methylpropyl nitrate
MOLECULAR FORMULA: C4H9NO3
MOLECULAR WEIGHT: 119.11916
SMILES: CC(C)CO[N+](=O)[O-]
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Product OPENEYE NAME: 2-methyl-6-methylene-oct-7-en-2-ol
CAS Name: 2-methyl-6-methylene-7-octen-2-ol
IUPAC NAME: 2-methyl-6-methylideneoct-7-en-2-ol
SYSTEMATIC NAME: 2-methyl-6-methylidene-oct-7-en-2-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC(C)(CCCC(=C)C=C)O
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Product OPENEYE NAME: heptan-2-ol
CAS Name: 2-heptanol
IUPAC NAME: heptan-2-ol
SYSTEMATIC NAME: heptan-2-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCCCCC(C)O
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Product OPENEYE NAME: 1-chloropentane
CAS Name: 1-chloropentane
IUPAC NAME: 1-chloropentane
SYSTEMATIC NAME: 1-chloranylpentane
MOLECULAR FORMULA: C5H11Cl
MOLECULAR WEIGHT: 106.59384
SMILES: CCCCCCl
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Product OPENEYE NAME: butyl(chloro)mercury
CAS Name: butyl(chloro)mercury
IUPAC NAME: butyl(chloro)mercury
SYSTEMATIC NAME: butyl(chloranyl)mercury
MOLECULAR FORMULA: C4H9ClHg
MOLECULAR WEIGHT: 293.15726
SMILES: CCCC[Hg]Cl
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Product OPENEYE NAME: propyl nitrite
CAS Name: nitrous acid propyl ester
IUPAC NAME: propyl nitrite
SYSTEMATIC NAME: propyl nitrite
MOLECULAR FORMULA: C3H7NO2
MOLECULAR WEIGHT: 89.09318
SMILES: CCCON=O
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Product OPENEYE NAME: barium(2+) diacetate
CAS Name: barium(2+) diacetate
IUPAC NAME: barium(2+) diacetate
SYSTEMATIC NAME: barium(2+) diethanoate
MOLECULAR FORMULA: C4H6BaO4
MOLECULAR WEIGHT: 255.41504
SMILES: CC(=O)[O-].CC(=O)[O-].[Ba+2]
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Product OPENEYE NAME: beryllium diacetate
CAS Name: beryllium diacetate
IUPAC NAME: beryllium diacetate
SYSTEMATIC NAME: beryllium diethanoate
MOLECULAR FORMULA: C4H6BeO4
MOLECULAR WEIGHT: 127.100222
SMILES: [Be+2].CC(=O)[O-].CC(=O)[O-]
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