[2-(acetyloxymethyl)-2-(docosanoyloxymethyl)-3-henicosoxy-propyl] docosanoate

Systemtic Name: [2-(acetyloxymethyl)-2-(docosanoyloxymethyl)-3-henicosoxy-propyl] docosanoate Openeye Name: [2-(acetoxymethyl)-2-(docosanoyloxymethyl)-3-henicosoxy-propyl] docosanoate CAS Name: docosanoic acid [2-(acetyloxymethyl)-2-(heneicosoxymethyl)-3-(1-oxodocosoxy)propyl] ester IUPAC Name: [2-(acetyloxymethyl)-2-(docosanoyloxymethyl)-3-henicosoxypropyl] docosanoate Traditional Name: behenic acid [2-(acetoxymethyl)-2-(docosanoyloxymethyl)-3-heneicosoxy-propyl] ester Formula: C72H140O7 MolecularWeight: 1117.8778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCCCCC)(COC(=O)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCCCCCCCCCCCCCCCCCCCCC)(COC(=O)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C72H140O7/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-70(74)78-67-72(66-77-69(4)73,65-76-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)68-79-71(75)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h5-68H2,1-4H3