[3-octadecanoyloxy-2-(2-tetradecylsulfanylethanoyloxy)propyl] octadecanoate

Systemtic Name: [3-octadecanoyloxy-2-(2-tetradecylsulfanylethanoyloxy)propyl] octadecanoate Openeye Name: [3-octadecanoyloxy-2-(2-tetradecylsulfanylacetyl)oxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-(1-oxooctadecoxy)-2-[1-oxo-2-(tetradecylthio)ethoxy]propyl] ester IUPAC Name: [3-octadecanoyloxy-2-(2-tetradecylsulfanylacetyl)oxypropyl] octadecanoate Traditional Name: stearic acid [2-[2-(myristylthio)acetyl]oxy-3-stearoyloxy-propyl] ester Formula: C55H106O6S MolecularWeight: 895.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CSCCCCCCCCCCCCCC

InChI

InChI=1S/C55H106O6S/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/h52H,4-51H2,1-3H3