3-[(9E,12E,15E)-octadeca-9,12,15-trienyl]sulfanylpropanoic acid

Systemtic Name: 3-[(9E,12E,15E)-octadeca-9,12,15-trienyl]sulfanylpropanoic acid Openeye Name: 3-[(9E,12E,15E)-octadeca-9,12,15-trienyl]sulfanylpropanoic acid CAS Name: 3-[[(9E,12E,15E)-octadeca-9,12,15-trienyl]thio]propanoic acid IUPAC Name: 3-[(9E,12E,15E)-octadeca-9,12,15-trienyl]sulfanylpropanoic acid Traditional Name: 3-[[(9E,12E,15E)-octadeca-9,12,15-trienyl]thio]propionic acid Formula: C21H36O2S MolecularWeight: 352.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCCSCCC(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCCSCCC(=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/h3-4,6-7,9-10H,2,5,8,11-20H2,1H3,(H,22,23)/b4-3+,7-6+,10-9+