[2-(docosanoyloxymethyl)-2-(hydroxymethyl)-4-oxidanylidene-pentacosyl] docosanoate

Systemtic Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)-4-oxidanylidene-pentacosyl] docosanoate Openeye Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)-4-oxo-pentacosyl] docosanoate CAS Name: docosanoic acid [2-(hydroxymethyl)-4-oxo-2-(1-oxodocosoxymethyl)pentacosyl] ester IUPAC Name: [2-(docosanoyloxymethyl)-2-(hydroxymethyl)-4-oxopentacosyl] docosanoate Traditional Name: behenic acid [2-(docosanoyloxymethyl)-4-keto-2-methylol-pentacosyl] ester Formula: C71H138O6 MolecularWeight: 1087.85182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)CC(CO)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C71H138O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(73)64-71(65-72,66-76-69(74)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67-77-70(75)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h72H,4-67H2,1-3H3