methyl (E)-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-oxidanyl-octadec-5-enoate

Systemtic Name: methyl (E)-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-oxidanyl-octadec-5-enoate Openeye Name: methyl (E)-3-hydroxy-4-(3-methoxy-3-oxo-propyl)sulfanyl-octadec-5-enoate CAS Name: (E)-3-hydroxy-4-[(3-methoxy-3-oxopropyl)thio]-5-octadecenoic acid methyl ester IUPAC Name: methyl (E)-3-hydroxy-4-(3-methoxy-3-oxopropyl)sulfanyloctadec-5-enoate Traditional Name: (E)-3-hydroxy-4-[(3-keto-3-methoxy-propyl)thio]octadec-5-enoic acid methyl ester Formula: C23H42O5S MolecularWeight: 430.64158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H42O5S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(20(24)19-23(26)28-3)29-18-17-22(25)27-2/h15-16,20-21,24H,4-14,17-19H2,1-3H3/b16-15+