3-sulfanylpropyl (E)-12-oxidanyloctadec-9-enoate

Systemtic Name: 3-sulfanylpropyl (E)-12-oxidanyloctadec-9-enoate Openeye Name: 3-sulfanylpropyl (E)-12-hydroxyoctadec-9-enoate CAS Name: (E)-12-hydroxy-9-octadecenoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl (E)-12-hydroxyoctadec-9-enoate Traditional Name: (E)-12-hydroxyoctadec-9-enoic acid 3-mercaptopropyl ester Formula: C21H40O3S MolecularWeight: 372.6055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)OCCCS)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)OCCCS)O

InChI

InChI=1S/C21H40O3S/c1-2-3-4-11-15-20(22)16-12-9-7-5-6-8-10-13-17-21(23)24-18-14-19-25/h9,12,20,22,25H,2-8,10-11,13-19H2,1H3/b12-9+