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

Systemtic Name: [2,2-bis(docosanoyloxymethyl)-3-(2-methylhenicosanoyloxy)propyl] docosanoate Openeye Name: [2,2-bis(docosanoyloxymethyl)-3-(2-methylhenicosanoyloxy)propyl] docosanoate CAS Name: docosanoic acid [2-[(2-methyl-1-oxoheneicosoxy)methyl]-3-(1-oxodocosoxy)-2-(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [2,2-bis(docosanoyloxymethyl)-3-(2-methylhenicosanoyloxy)propyl] docosanoate Traditional Name: behenic acid [2,2-bis(docosanoyloxymethyl)-3-(2-methylheneicosanoyloxy)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)C(C)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C93H180O8/c1-6-10-14-18-22-26-30-34-38-42-45-49-53-57-61-65-69-73-77-81-89(94)98-84-93(85-99-90(95)82-78-74-70-66-62-58-54-50-46-43-39-35-31-27-23-19-15-11-7-2,86-100-91(96)83-79-75-71-67-63-59-55-51-47-44-40-36-32-28-24-20-16-12-8-3)87-101-92(97)88(5)80-76-72-68-64-60-56-52-48-41-37-33-29-25-21-17-13-9-4/h88H,6-87H2,1-5H3