[2-(2-docosylsulfanylethanoyloxy)-3-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [2-(2-docosylsulfanylethanoyloxy)-3-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [2-(2-docosylsulfanylacetyl)oxy-3-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [2-[2-(docosylthio)-1-oxoethoxy]-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: [2-(2-docosylsulfanylacetyl)oxy-3-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [2-[2-(behenylthio)acetyl]oxy-3-hexadecanoyloxy-propyl] ester Formula: C59H114O6S MolecularWeight: 951.59786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCSCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCSCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C59H114O6S/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-34-37-40-43-46-49-52-66-55-59(62)65-56(53-63-57(60)50-47-44-41-38-35-32-23-20-17-14-11-8-5-2)54-64-58(61)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3/h56H,4-55H2,1-3H3