(E)-4-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyloctadec-5-enoic acid

Systemtic Name: (E)-4-(4-oxidanyl-4-oxidanylidene-butyl)sulfanyloctadec-5-enoic acid Openeye Name: (E)-4-(4-hydroxy-4-oxo-butyl)sulfanyloctadec-5-enoic acid CAS Name: (E)-4-[(4-hydroxy-4-oxobutyl)thio]-5-octadecenoic acid IUPAC Name: (E)-4-(4-hydroxy-4-oxobutyl)sulfanyloctadec-5-enoic acid Traditional Name: (E)-4-[(4-hydroxy-4-keto-butyl)thio]octadec-5-enoic acid Formula: C22H40O4S MolecularWeight: 400.6156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC=CC(CCC(=O)O)SCCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H40O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20(17-18-22(25)26)27-19-14-16-21(23)24/h13,15,20H,2-12,14,16-19H2,1H3,(H,23,24)(H,25,26)/b15-13+