methyl 7-dodecylsulfanylhepta-5,6-dienoate

Systemtic Name: methyl 7-dodecylsulfanylhepta-5,6-dienoate Openeye Name: methyl 7-dodecylsulfanylhepta-5,6-dienoate CAS Name: 7-(dodecylthio)hepta-5,6-dienoic acid methyl ester IUPAC Name: methyl 7-dodecylsulfanylhepta-5,6-dienoate Traditional Name: 7-(laurylthio)hepta-5,6-dienoic acid methyl ester Formula: C20H36O2S MolecularWeight: 340.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC=C=CCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCSC=C=CCCCC(=O)OC

InChI

InChI=1S/C20H36O2S/c1-3-4-5-6-7-8-9-10-12-15-18-23-19-16-13-11-14-17-20(21)22-2/h13,19H,3-12,14-15,17-18H2,1-2H3