2-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]ethyl (Z)-octadec-9-enoate

Systemtic Name: 2-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]ethyl (Z)-octadec-9-enoate Openeye Name: 2-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]ethyl (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid 2-[2-[(Z)-1-oxooctadec-9-enoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-[(Z)-octadec-9-enoyl]oxyethylsulfanyl]ethyl (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid 2-[2-[(Z)-octadec-9-enoyl]oxyethylthio]ethyl ester Formula: C40H74O4S MolecularWeight: 651.07816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCSCCOC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCSCCOC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C40H74O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)43-35-37-45-38-36-44-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3/b19-17-,20-18-