(E)-4-(2-carboxyethylsulfanyl)-3-oxidanyl-octadec-5-enoic acid

Systemtic Name: (E)-4-(2-carboxyethylsulfanyl)-3-oxidanyl-octadec-5-enoic acid Openeye Name: (E)-4-(2-carboxyethylsulfanyl)-3-hydroxy-octadec-5-enoic acid CAS Name: (E)-4-(2-carboxyethylthio)-3-hydroxy-5-octadecenoic acid IUPAC Name: (E)-4-(2-carboxyethylsulfanyl)-3-hydroxyoctadec-5-enoic acid Traditional Name: (E)-4-(2-carboxyethylthio)-3-hydroxy-octadec-5-enoic acid Formula: C21H38O5S MolecularWeight: 402.58842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(C(CC(=O)O)O)SCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H38O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(18(22)17-21(25)26)27-16-15-20(23)24/h13-14,18-19,22H,2-12,15-17H2,1H3,(H,23,24)(H,25,26)/b14-13+