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

Systemtic Name: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate Openeye Name: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate CAS Name: docosanoic acid [3-(1-oxodocosoxy)-2,2-bis(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate Traditional Name: behenic acid [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] ester Formula: C93H180O8 MolecularWeight: 1426.4195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C93H180O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3