[(E)-heptadec-4-en-9-yl] 3-methyl-3-sulfanyl-butanoate

Systemtic Name: [(E)-heptadec-4-en-9-yl] 3-methyl-3-sulfanyl-butanoate Openeye Name: [(E)-1-octylnon-5-enyl] 3-methyl-3-sulfanyl-butanoate CAS Name: 3-mercapto-3-methylbutanoic acid [(E)-heptadec-4-en-9-yl] ester IUPAC Name: [(E)-heptadec-4-en-9-yl] 3-methyl-3-sulfanylbutanoate Traditional Name: 3-mercapto-3-methyl-butyric acid [(E)-1-octylnon-5-enyl] ester Formula: C22H42O2S MolecularWeight: 370.63268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC=CCCC)OC(=O)CC(C)(C)S

Isomeric SMILES

CCCCCCCCC(CCC/C=C/CCC)OC(=O)CC(C)(C)S

InChI

InChI=1S/C22H42O2S/c1-5-7-9-11-13-15-17-20(18-16-14-12-10-8-6-2)24-21(23)19-22(3,4)25/h9,11,20,25H,5-8,10,12-19H2,1-4H3/b11-9+