(E)-4-(carboxymethylsulfanyl)-3-oxidanyl-octadec-5-enoic acid

Systemtic Name: (E)-4-(carboxymethylsulfanyl)-3-oxidanyl-octadec-5-enoic acid Openeye Name: (E)-4-(carboxymethylsulfanyl)-3-hydroxy-octadec-5-enoic acid CAS Name: (E)-4-(carboxymethylthio)-3-hydroxy-5-octadecenoic acid IUPAC Name: (E)-4-(carboxymethylsulfanyl)-3-hydroxyoctadec-5-enoic acid Traditional Name: (E)-4-(carboxymethylthio)-3-hydroxy-octadec-5-enoic acid Formula: C20H36O5S MolecularWeight: 388.56184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CC(=O)O)O)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(26-16-20(24)25)17(21)15-19(22)23/h13-14,17-18,21H,2-12,15-16H2,1H3,(H,22,23)(H,24,25)/b14-13+