[(9E,12E)-octadeca-9,12-dienyl] 2-sulfanylethanoate

Systemtic Name: [(9E,12E)-octadeca-9,12-dienyl] 2-sulfanylethanoate Openeye Name: [(9E,12E)-octadeca-9,12-dienyl] 2-sulfanylacetate CAS Name: 2-mercaptoacetic acid [(9E,12E)-octadeca-9,12-dienyl] ester IUPAC Name: [(9E,12E)-octadeca-9,12-dienyl] 2-sulfanylacetate Traditional Name: 2-mercaptoacetic acid [(9E,12E)-octadeca-9,12-dienyl] ester Formula: C20H36O2S MolecularWeight: 340.56364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOC(=O)CS

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC(=O)CS

InChI

InChI=1S/C20H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-20(21)19-23/h6-7,9-10,23H,2-5,8,11-19H2,1H3/b7-6+,10-9+