Saturday, August 13, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-acetyl-N-methyl-acetamide
CAS Name: N-acetyl-N-methylacetamide
IUPAC NAME: N-acetyl-N-methylacetamide
SYSTEMATIC NAME: N-ethanoyl-N-methyl-ethanamide
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: CC(=O)N(C)C(=O)C
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Product OPENEYE NAME: S-propyl N-butyl-N-ethyl-carbamothioate
CAS Name: N-butyl-N-ethylcarbamothioic acid S-propyl ester
IUPAC NAME: S-propyl N-butyl-N-ethylcarbamothioate
SYSTEMATIC NAME: S-propyl N-butyl-N-ethyl-carbamothioate
MOLECULAR FORMULA: C10H21NOS
MOLECULAR WEIGHT: 203.34484
SMILES: CCCCN(CC)C(=O)SCCC
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Product OPENEYE NAME: 2-ethyl-N-methyl-hexanamide
CAS Name: 2-ethyl-N-methylhexanamide
IUPAC NAME: 2-ethyl-N-methylhexanamide
SYSTEMATIC NAME: 2-ethyl-N-methyl-hexanamide
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CCCCC(CC)C(=O)NC
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Product OPENEYE NAME: 1-vinylsulfinylethylene
CAS Name: 1-ethenylsulfinylethene
IUPAC NAME: 1-ethenylsulfinylethene
SYSTEMATIC NAME: 1-ethenylsulfinylethene
MOLECULAR FORMULA: C4H6OS
MOLECULAR WEIGHT: 102.15484
SMILES: C=CS(=O)C=C
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Product OPENEYE NAME: (3-hydroxy-2,2-dimethyl-propyl) 3-hydroxy-2,2-dimethyl-propanoate
CAS Name: 3-hydroxy-2,2-dimethylpropanoic acid (3-hydroxy-2,2-dimethylpropyl) ester
IUPAC NAME: (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate
SYSTEMATIC NAME: (2,2-dimethyl-3-oxidanyl-propyl) 2,2-dimethyl-3-oxidanyl-propanoate
MOLECULAR FORMULA: C10H20O4
MOLECULAR WEIGHT: 204.2634
SMILES: CC(C)(CO)COC(=O)C(C)(C)CO
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Product OPENEYE NAME: 3-(diaminomethylene)-1,1-dimethyl-guanidine hydrochloride
CAS Name: 3-(diaminomethylidene)-1,1-dimethylguanidine hydrochloride
IUPAC NAME: 3-(diaminomethylidene)-1,1-dimethylguanidine hydrochloride
SYSTEMATIC NAME: 3-[bis(azanyl)methylidene]-1,1-dimethyl-guanidine hydrochloride
MOLECULAR FORMULA: C4H12ClN5
MOLECULAR WEIGHT: 165.62458
SMILES: CN(C)C(=N)N=C(N)N.Cl
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Product OPENEYE NAME: (3-amino-3-carboxy-propyl)-dimethyl-sulfonium chloride
CAS Name: (3-amino-3-carboxypropyl)-dimethylsulfonium chloride
IUPAC NAME: (3-amino-3-carboxypropyl)-dimethylsulfanium chloride
SYSTEMATIC NAME: (3-azanyl-4-oxidanyl-4-oxidanylidene-butyl)-dimethyl-sulfanium chloride
MOLECULAR FORMULA: C6H14ClNO2S
MOLECULAR WEIGHT: 199.69886
SMILES: C[S+](C)CCC(C(=O)O)N.[Cl-]
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Product OPENEYE NAME: N,N-dimethylheptanamide
CAS Name: N,N-dimethylheptanamide
IUPAC NAME: N,N-dimethylheptanamide
SYSTEMATIC NAME: N,N-dimethylheptanamide
MOLECULAR FORMULA: C9H19NO
MOLECULAR WEIGHT: 157.25326
SMILES: CCCCCCC(=O)N(C)C
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Product OPENEYE NAME: N,N-diisobutyl-2-methyl-propan-1-amine
CAS Name: 2-methyl-N,N-bis(2-methylpropyl)-1-propanamine
IUPAC NAME: 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
SYSTEMATIC NAME: 2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
MOLECULAR FORMULA: C12H27N
MOLECULAR WEIGHT: 185.34948
SMILES: CC(C)CN(CC(C)C)CC(C)C
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Product OPENEYE NAME: N,N-bis(2-hydroxyethyl)nitrous amide
CAS Name: N,N-bis(2-hydroxyethyl)nitrous amide
IUPAC NAME: N,N-bis(2-hydroxyethyl)nitrous amide
SYSTEMATIC NAME: N,N-bis(2-hydroxyethyl)nitrous amide
MOLECULAR FORMULA: C4H10N2O3
MOLECULAR WEIGHT: 134.1338
SMILES: C(CO)N(CCO)N=O
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Product OPENEYE NAME: tripropylborane
CAS Name: tripropylborane
IUPAC NAME: tripropylborane
SYSTEMATIC NAME: tripropylborane
MOLECULAR FORMULA: C9H21B
MOLECULAR WEIGHT: 140.07404
SMILES: B(CCC)(CCC)CCC
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Product OPENEYE NAME: aluminum butane
CAS Name: aluminum butane
IUPAC NAME: aluminum butane
SYSTEMATIC NAME: aluminum butane
MOLECULAR FORMULA: C12H27Al
MOLECULAR WEIGHT: 198.324318
SMILES: CCC[CH2-].CCC[CH2-].CCC[CH2-].[Al+3]
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Product OPENEYE NAME: aluminum hexane
CAS Name: aluminum hexane
IUPAC NAME: aluminum hexane
SYSTEMATIC NAME: aluminum hexane
MOLECULAR FORMULA: C18H39Al
MOLECULAR WEIGHT: 282.483798
SMILES: CCCCC[CH2-].CCCCC[CH2-].CCCCC[CH2-].[Al+3]
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Product OPENEYE NAME: N,N-dioctyloctan-1-amine
CAS Name: N,N-dioctyl-1-octanamine
IUPAC NAME: N,N-dioctyloctan-1-amine
SYSTEMATIC NAME: N,N-dioctyloctan-1-amine
MOLECULAR FORMULA: C24H51N
MOLECULAR WEIGHT: 353.66844
SMILES: CCCCCCCCN(CCCCCCCC)CCCCCCCC
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Product OPENEYE NAME: hexyl octanoate
CAS Name: octanoic acid hexyl ester
IUPAC NAME: hexyl octanoate
SYSTEMATIC NAME: hexyl octanoate
MOLECULAR FORMULA: C14H28O2
MOLECULAR WEIGHT: 228.37092
SMILES: CCCCCCCC(=O)OCCCCCC
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Product OPENEYE NAME: methyl 4-bromobut-2-enoate
CAS Name: 4-bromo-2-butenoic acid methyl ester
IUPAC NAME: methyl 4-bromobut-2-enoate
SYSTEMATIC NAME: methyl 4-bromanylbut-2-enoate
MOLECULAR FORMULA: C5H7BrO2
MOLECULAR WEIGHT: 179.01188
SMILES: COC(=O)C=CCBr
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Product OPENEYE NAME: N-butyl-N-methyl-formamide
CAS Name: N-butyl-N-methylformamide
IUPAC NAME: N-butyl-N-methylformamide
SYSTEMATIC NAME: N-butyl-N-methyl-methanamide
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CCCCN(C)C=O
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Product OPENEYE NAME: octane-1,2-diol
CAS Name: octane-1,2-diol
IUPAC NAME: octane-1,2-diol
SYSTEMATIC NAME: octane-1,2-diol
MOLECULAR FORMULA: C8H18O2
MOLECULAR WEIGHT: 146.22732
SMILES: CCCCCCC(CO)O
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Product OPENEYE NAME: N-methoxymethanamine
CAS Name: N-methoxymethanamine
IUPAC NAME: N-methoxymethanamine
SYSTEMATIC NAME: N-methoxymethanamine
MOLECULAR FORMULA: C2H7NO
MOLECULAR WEIGHT: 61.08308
SMILES: CNOC
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Product OPENEYE NAME: tert-butylurea
CAS Name: tert-butylurea
IUPAC NAME: tert-butylurea
SYSTEMATIC NAME: 1-tert-butylurea
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CC(C)(C)NC(=O)N
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Product OPENEYE NAME: (2,5-dimethyl-1-vinyl-hex-4-enyl) 3-methylbutanoate
CAS Name: 3-methylbutanoic acid 4,7-dimethylocta-1,6-dien-3-yl ester
IUPAC NAME: 4,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate
SYSTEMATIC NAME: 4,7-dimethylocta-1,6-dien-3-yl 3-methylbutanoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CC(C)CC(=O)OC(C=C)C(C)CC=C(C)C
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Product OPENEYE NAME: (1,1-dimethyl-5-methylene-hept-6-enyl) acetate
CAS Name: acetic acid (2-methyl-6-methyleneoct-7-en-2-yl) ester
IUPAC NAME: (2-methyl-6-methylideneoct-7-en-2-yl) acetate
SYSTEMATIC NAME: (2-methyl-6-methylidene-oct-7-en-2-yl) ethanoate
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CC(=O)OC(C)(C)CCCC(=C)C=C
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Product OPENEYE NAME: butyl(trichloro)stannane
CAS Name: butyl(trichloro)stannane
IUPAC NAME: butyl(trichloro)stannane
SYSTEMATIC NAME: butyl-tris(chloranyl)stannane
MOLECULAR FORMULA: C4H9Cl3Sn
MOLECULAR WEIGHT: 282.18326
SMILES: CCCC[Sn](Cl)(Cl)Cl
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