[3-[(Z)-octadec-9-enoyl]oxy-2-(2-tetradecylsulfanylethanoyloxy)propyl] (Z)-octadec-9-enoate

Systemtic Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(2-tetradecylsulfanylethanoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(2-tetradecylsulfanylacetyl)oxy-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-[(Z)-1-oxooctadec-9-enoxy]-2-[1-oxo-2-(tetradecylthio)ethoxy]propyl] ester IUPAC Name: [3-[(Z)-octadec-9-enoyl]oxy-2-(2-tetradecylsulfanylacetyl)oxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [2-[2-(myristylthio)acetyl]oxy-3-[(Z)-octadec-9-enoyl]oxy-propyl] ester Formula: C55H102O6S MolecularWeight: 891.45978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCSCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCSCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C55H102O6S/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-53(56)59-49-52(61-55(58)51-62-48-45-42-39-36-33-24-21-18-15-12-9-6-3)50-60-54(57)47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-