[1,3-di(henicosoxy)-2-methyl-propan-2-yl] docosanoate

Systemtic Name: [1,3-di(henicosoxy)-2-methyl-propan-2-yl] docosanoate Openeye Name: [2-henicosoxy-1-(henicosoxymethyl)-1-methyl-ethyl] docosanoate CAS Name: docosanoic acid [1,3-di(heneicosoxy)-2-methylpropan-2-yl] ester IUPAC Name: [1,3-di(henicosoxy)-2-methylpropan-2-yl] docosanoate Traditional Name: behenic acid [2-heneicosoxy-1-(heneicosoxymethyl)-1-methyl-ethyl] ester Formula: C68H136O4 MolecularWeight: 1017.80504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(COCCCCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)(COCCCCCCCCCCCCCCCCCCCCC)COCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C68H136O4/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-67(69)72-68(4,65-70-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)66-71-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h5-66H2,1-4H3