[3-[3,3-di(docosanoyloxy)propoxy]-1-docosanoyloxy-propyl] docosanoate

Systemtic Name: [3-[3,3-di(docosanoyloxy)propoxy]-1-docosanoyloxy-propyl] docosanoate Openeye Name: [3-[3,3-di(docosanoyloxy)propoxy]-1-docosanoyloxy-propyl] docosanoate CAS Name: docosanoic acid [3-[3,3-bis(1-oxodocosoxy)propoxy]-1-(1-oxodocosoxy)propyl] ester IUPAC Name: [3-[3,3-di(docosanoyloxy)propoxy]-1-docosanoyloxypropyl] docosanoate Traditional Name: behenic acid [3-[3,3-di(docosanoyloxy)propoxy]-1-docosanoyloxy-propyl] ester Formula: C94H182O9 MolecularWeight: 1456.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCOCCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CCOCCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C94H182O9/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(95)100-93(101-90(96)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)85-87-99-88-86-94(102-91(97)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)103-92(98)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h93-94H,5-88H2,1-4H3