(1-oxidanyl-3-sulfanyl-propan-2-yl) (E)-octadec-9-enoate

Systemtic Name: (1-oxidanyl-3-sulfanyl-propan-2-yl) (E)-octadec-9-enoate Openeye Name: [1-(hydroxymethyl)-2-sulfanyl-ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid (1-hydroxy-3-mercaptopropan-2-yl) ester IUPAC Name: (1-hydroxy-3-sulfanylpropan-2-yl) (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-hydroxy-1-(mercaptomethyl)ethyl] ester Formula: C21H40O3S MolecularWeight: 372.6055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CS

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OC(CO)CS

InChI

InChI=1S/C21H40O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)24-20(18-22)19-25/h9-10,20,22,25H,2-8,11-19H2,1H3/b10-9+