(E)-4-(carboxymethylsulfanyl)octadec-5-enoic acid

Systemtic Name: (E)-4-(carboxymethylsulfanyl)octadec-5-enoic acid Openeye Name: (E)-4-(carboxymethylsulfanyl)octadec-5-enoic acid CAS Name: (E)-4-(carboxymethylthio)-5-octadecenoic acid IUPAC Name: (E)-4-(carboxymethylsulfanyl)octadec-5-enoic acid Traditional Name: (E)-4-(carboxymethylthio)octadec-5-enoic acid Formula: C20H36O4S MolecularWeight: 372.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCC(=O)O)SCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC/C=C/C(CCC(=O)O)SCC(=O)O

InChI

InChI=1S/C20H36O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15-16-19(21)22)25-17-20(23)24/h13-14,18H,2-12,15-17H2,1H3,(H,21,22)(H,23,24)/b14-13+