[2,2-bis(docosanoyloxymethyl)-3-henicosoxy-propyl] docosanoate

Systemtic Name: [2,2-bis(docosanoyloxymethyl)-3-henicosoxy-propyl] docosanoate Openeye Name: [2,2-bis(docosanoyloxymethyl)-3-henicosoxy-propyl] docosanoate CAS Name: docosanoic acid [2-(heneicosoxymethyl)-3-(1-oxodocosoxy)-2-(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [2,2-bis(docosanoyloxymethyl)-3-henicosoxypropyl] docosanoate Traditional Name: behenic acid [2,2-bis(docosanoyloxymethyl)-3-heneicosoxy-propyl] ester Formula: C92H180O7 MolecularWeight: 1398.4094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C92H180O7/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(93)97-86-92(85-96-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4,87-98-90(94)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)88-99-91(95)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h5-88H2,1-4H3