[3-docosanoyloxy-2-(docosanoyloxymethyl)-2-methyl-propyl] docosanoate

Systemtic Name: [3-docosanoyloxy-2-(docosanoyloxymethyl)-2-methyl-propyl] docosanoate Openeye Name: [3-docosanoyloxy-2-(docosanoyloxymethyl)-2-methyl-propyl] docosanoate CAS Name: docosanoic acid [2-methyl-3-(1-oxodocosoxy)-2-(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [3-docosanoyloxy-2-(docosanoyloxymethyl)-2-methylpropyl] docosanoate Traditional Name: behenic acid [3-docosanoyloxy-2-(docosanoyloxymethyl)-2-methyl-propyl] ester Formula: C71H138O6 MolecularWeight: 1087.85182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C71H138O6/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-68(72)75-65-71(4,66-76-69(73)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)67-77-70(74)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h5-67H2,1-4H3