2-[(6E,9E,12E)-octadeca-6,9,12-trienyl]sulfanylethanoic acid

Systemtic Name: 2-[(6E,9E,12E)-octadeca-6,9,12-trienyl]sulfanylethanoic acid Openeye Name: 2-[(6E,9E,12E)-octadeca-6,9,12-trienyl]sulfanylacetic acid CAS Name: 2-[[(6E,9E,12E)-octadeca-6,9,12-trienyl]thio]acetic acid IUPAC Name: 2-[(6E,9E,12E)-octadeca-6,9,12-trienyl]sulfanylacetic acid Traditional Name: 2-[[(6E,9E,12E)-octadeca-6,9,12-trienyl]thio]acetic acid Formula: C20H34O2S MolecularWeight: 338.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCCSCC(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCCSCC(=O)O

InChI

InChI=1S/C20H34O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+