Saturday, August 13, 2011

All Chemical Compounds Information




Product OPENEYE NAME: hex-2-enoic acid
CAS Name: 2-hexenoic acid
IUPAC NAME: hex-2-enoic acid
SYSTEMATIC NAME: hex-2-enoic acid
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CCCC=CC(=O)O
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Product OPENEYE NAME: diisobutylalumane
CAS Name: bis(2-methylpropyl)alumane
IUPAC NAME: bis(2-methylpropyl)alumane
SYSTEMATIC NAME: bis(2-methylpropyl)alumane
MOLECULAR FORMULA: C8H19Al
MOLECULAR WEIGHT: 142.217998
SMILES: CC(C)C[AlH]CC(C)C
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Product OPENEYE NAME: alumane
CAS Name: alumane
IUPAC NAME: alumane
SYSTEMATIC NAME: alumane
MOLECULAR FORMULA: AlH3
MOLECULAR WEIGHT: 30.005358
SMILES: [AlH3]
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Product OPENEYE NAME: 3-methylbut-2-enyl acetate
CAS Name: acetic acid 3-methylbut-2-enyl ester
IUPAC NAME: 3-methylbut-2-enyl acetate
SYSTEMATIC NAME: 3-methylbut-2-enyl ethanoate
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CC(=CCOC(=O)C)C
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Product OPENEYE NAME: 6-hydroxyhexanoic acid
CAS Name: 6-hydroxyhexanoic acid
IUPAC NAME: 6-hydroxyhexanoic acid
SYSTEMATIC NAME: 6-oxidanylhexanoic acid
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: C(CCC(=O)O)CCO
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Product OPENEYE NAME: hexane-1,6-dithiol
CAS Name: hexane-1,6-dithiol
IUPAC NAME: hexane-1,6-dithiol
SYSTEMATIC NAME: hexane-1,6-dithiol
MOLECULAR FORMULA: C6H14S2
MOLECULAR WEIGHT: 150.30536
SMILES: C(CCCS)CCS
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Product OPENEYE NAME: octane-1,8-dithiol
CAS Name: octane-1,8-dithiol
IUPAC NAME: octane-1,8-dithiol
SYSTEMATIC NAME: octane-1,8-dithiol
MOLECULAR FORMULA: C8H18S2
MOLECULAR WEIGHT: 178.35852
SMILES: C(CCCCS)CCCS
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Product OPENEYE NAME: decane-1,10-dithiol
CAS Name: decane-1,10-dithiol
IUPAC NAME: decane-1,10-dithiol
SYSTEMATIC NAME: decane-1,10-dithiol
MOLECULAR FORMULA: C10H22S2
MOLECULAR WEIGHT: 206.41168
SMILES: C(CCCCCS)CCCCS
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Product OPENEYE NAME: mercuric octadec-9-enoate
CAS Name: mercury(2+); 9-octadecenoate
IUPAC NAME: mercury(2+); octadec-9-enoate
SYSTEMATIC NAME: mercury(2+); octadec-9-enoate
MOLECULAR FORMULA: C36H66HgO4
MOLECULAR WEIGHT: 763.49684
SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-].[Hg+2]
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Product OPENEYE NAME: cyclobutanone
CAS Name: cyclobutanone
IUPAC NAME: cyclobutanone
SYSTEMATIC NAME: cyclobutanone
MOLECULAR FORMULA: C4H6O
MOLECULAR WEIGHT: 70.08984
SMILES: C1CC(=O)C1
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