(9E,12E)-2-(2-sulfanylethyl)octadeca-9,12-dienoate

Systemtic Name: (9E,12E)-2-(2-sulfanylethyl)octadeca-9,12-dienoate Openeye Name: (9E,12E)-2-(2-sulfanylethyl)octadeca-9,12-dienoate CAS Name: (9E,12E)-2-(2-mercaptoethyl)octadeca-9,12-dienoate IUPAC Name: (9E,12E)-2-(2-sulfanylethyl)octadeca-9,12-dienoate Traditional Name: (9E,12E)-2-(2-mercaptoethyl)octadeca-9,12-dienoate Formula: C20H35O2S- MolecularWeight: 339.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCC(CCS)C(=O)[O-]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCC(CCS)C(=O)[O-]

InChI

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