3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]sulfanylpropanoic acid

Systemtic Name: 3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]sulfanylpropanoic acid Openeye Name: 3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]sulfanylpropanoic acid CAS Name: 3-[[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]thio]propanoic acid IUPAC Name: 3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]sulfanylpropanoic acid Traditional Name: 3-[[(6Z,9Z,12Z)-octadeca-6,9,12-trienyl]thio]propionic acid Formula: C21H36O2S MolecularWeight: 352.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCCSCCC(=O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\CCCCCSCCC(=O)O

InChI

InChI=1S/C21H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24-20-18-21(22)23/h6-7,9-10,12-13H,2-5,8,11,14-20H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-