(E)-4-(2-carboxyethylsulfanyl)octadec-5-enoic acid

Systemtic Name: (E)-4-(2-carboxyethylsulfanyl)octadec-5-enoic acid Openeye Name: (E)-4-(2-carboxyethylsulfanyl)octadec-5-enoic acid CAS Name: (E)-4-(2-carboxyethylthio)-5-octadecenoic acid IUPAC Name: (E)-4-(2-carboxyethylsulfanyl)octadec-5-enoic acid Traditional Name: (E)-4-(2-carboxyethylthio)octadec-5-enoic acid Formula: C21H38O4S MolecularWeight: 386.58902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCC(=O)O)SCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H38O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-16-20(22)23)26-18-17-21(24)25/h13-14,19H,2-12,15-18H2,1H3,(H,22,23)(H,24,25)/b14-13+