1-sulfanylethyl (9E,12E)-octadeca-9,12-dienoate

Systemtic Name: 1-sulfanylethyl (9E,12E)-octadeca-9,12-dienoate Openeye Name: 1-sulfanylethyl (9E,12E)-octadeca-9,12-dienoate CAS Name: (9E,12E)-octadeca-9,12-dienoic acid 1-mercaptoethyl ester IUPAC Name: 1-sulfanylethyl (9E,12E)-octadeca-9,12-dienoate Traditional Name: (9E,12E)-octadeca-9,12-dienoic acid 1-mercaptoethyl ester Formula: C20H36O2S MolecularWeight: 340.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)OC(C)S

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(C)S

InChI

InChI=1S/C20H36O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19(2)23/h7-8,10-11,19,23H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+