1-sulfanylethyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 1-sulfanylethyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 1-sulfanylethyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 1-mercaptoethyl ester IUPAC Name: 1-sulfanylethyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 1-mercaptoethyl ester Formula: C20H38O3S MolecularWeight: 358.57892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OC(C)S)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OC(C)S)O

InChI

InChI=1S/C20H38O3S/c1-3-4-5-12-15-19(21)16-13-10-8-6-7-9-11-14-17-20(22)23-18(2)24/h10,13,18-19,21,24H,3-9,11-12,14-17H2,1-2H3/b13-10+