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

Systemtic Name: [3-hexadecanoyloxy-2-(2-tetradecylsulfanylethanoyloxy)propyl] (Z)-octadec-9-enoate Openeye Name: [3-hexadecanoyloxy-2-(2-tetradecylsulfanylacetyl)oxy-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [3-(1-oxohexadecoxy)-2-[1-oxo-2-(tetradecylthio)ethoxy]propyl] ester IUPAC Name: [3-hexadecanoyloxy-2-(2-tetradecylsulfanylacetyl)oxypropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [3-hexadecanoyloxy-2-[2-(myristylthio)acetyl]oxy-propyl] ester Formula: C53H100O6S MolecularWeight: 865.4225

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

InChI

InChI=1S/C53H100O6S/c1-4-7-10-13-16-19-22-25-26-28-30-33-36-39-42-45-52(55)58-48-50(47-57-51(54)44-41-38-35-32-29-27-23-20-17-14-11-8-5-2)59-53(56)49-60-46-43-40-37-34-31-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25-