methyl 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoate

Systemtic Name: methyl 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoate Openeye Name: methyl 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoate CAS Name: 4-[[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoate Traditional Name: 4-[[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]thio]butyric acid methyl ester Formula: C20H34O2S MolecularWeight: 338.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCC=CC=CSCCCC(=O)OC

Isomeric SMILES

CCCCCCCC/C=C\C/C=C\C=C\SCCCC(=O)OC

InChI

InChI=1S/C20H34O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19-16-17-20(21)22-2/h10-11,13-15,18H,3-9,12,16-17,19H2,1-2H3/b11-10-,14-13-,18-15+