(E)-5-(2-carboxyethylsulfanyl)-4-oxidanyl-heptadec-6-enoic acid

Systemtic Name: (E)-5-(2-carboxyethylsulfanyl)-4-oxidanyl-heptadec-6-enoic acid Openeye Name: (E)-5-(2-carboxyethylsulfanyl)-4-hydroxy-heptadec-6-enoic acid CAS Name: (E)-5-(2-carboxyethylthio)-4-hydroxy-6-heptadecenoic acid IUPAC Name: (E)-5-(2-carboxyethylsulfanyl)-4-hydroxyheptadec-6-enoic acid Traditional Name: (E)-5-(2-carboxyethylthio)-4-hydroxy-heptadec-6-enoic acid Formula: C20H36O5S MolecularWeight: 388.56184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18(26-16-15-20(24)25)17(21)13-14-19(22)23/h11-12,17-18,21H,2-10,13-16H2,1H3,(H,22,23)(H,24,25)/b12-11+