4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoic acid

Systemtic Name: 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoic acid Openeye Name: 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoic acid CAS Name: 4-[[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]thio]butanoic acid IUPAC Name: 4-[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]sulfanylbutanoic acid Traditional Name: 4-[[(1E,3Z,6Z)-pentadeca-1,3,6-trienyl]thio]butyric acid Formula: C19H32O2S MolecularWeight: 324.52118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-18-15-16-19(20)21/h9-10,12-14,17H,2-8,11,15-16,18H2,1H3,(H,20,21)/b10-9-,13-12-,17-14+