[1-[3-(3-acetyloxy-2-docosanoyloxy-propoxy)-2-docosanoyloxy-propoxy]-3-oxidanyl-propan-2-yl] docosanoate

Systemtic Name: [1-[3-(3-acetyloxy-2-docosanoyloxy-propoxy)-2-docosanoyloxy-propoxy]-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [1-[[3-(3-acetoxy-2-docosanoyloxy-propoxy)-2-docosanoyloxy-propoxy]methyl]-2-hydroxy-ethyl] docosanoate CAS Name: docosanoic acid [1-[3-[3-acetyloxy-2-(1-oxodocosoxy)propoxy]-2-(1-oxodocosoxy)propoxy]-3-hydroxypropan-2-yl] ester IUPAC Name: [1-[3-(3-acetyloxy-2-docosanoyloxypropoxy)-2-docosanoyloxypropoxy]-3-hydroxypropan-2-yl] docosanoate Traditional Name: behenic acid [1-[[3-(3-acetoxy-2-docosanoyloxy-propoxy)-2-docosanoyloxy-propoxy]methyl]-2-hydroxy-ethyl] ester Formula: C77H148O11 MolecularWeight: 1249.99242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCC(COCC(COC(=O)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)COCC(COCC(COC(=O)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C77H148O11/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-75(80)86-72(65-78)66-83-67-73(87-76(81)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)68-84-69-74(70-85-71(4)79)88-77(82)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h72-74,78H,5-70H2,1-4H3