(E)-5-(carboxymethylsulfanyl)-4-oxidanyl-heptadec-6-enoic acid

Systemtic Name: (E)-5-(carboxymethylsulfanyl)-4-oxidanyl-heptadec-6-enoic acid Openeye Name: (E)-5-(carboxymethylsulfanyl)-4-hydroxy-heptadec-6-enoic acid CAS Name: (E)-5-(carboxymethylthio)-4-hydroxy-6-heptadecenoic acid IUPAC Name: (E)-5-(carboxymethylsulfanyl)-4-hydroxyheptadec-6-enoic acid Traditional Name: (E)-5-(carboxymethylthio)-4-hydroxy-heptadec-6-enoic acid Formula: C19H34O5S MolecularWeight: 374.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC=CC(C(CCC(=O)O)O)SCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H34O5S/c1-2-3-4-5-6-7-8-9-10-11-12-17(25-15-19(23)24)16(20)13-14-18(21)22/h11-12,16-17,20H,2-10,13-15H2,1H3,(H,21,22)(H,23,24)/b12-11+