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

Systemtic Name: [1-(3-acetyloxy-2-docosanoyloxy-propoxy)-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [1-[(3-acetoxy-2-docosanoyloxy-propoxy)methyl]-2-hydroxy-ethyl] docosanoate CAS Name: docosanoic acid [1-[3-acetyloxy-2-(1-oxodocosoxy)propoxy]-3-hydroxypropan-2-yl] ester IUPAC Name: [1-(3-acetyloxy-2-docosanoyloxypropoxy)-3-hydroxypropan-2-yl] docosanoate Traditional Name: behenic acid [1-[(3-acetoxy-2-docosanoyloxy-propoxy)methyl]-2-hydroxy-ethyl] ester Formula: C52H100O8 MolecularWeight: 853.3456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H100O8/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-51(55)59-49(44-53)45-57-46-50(47-58-48(3)54)60-52(56)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h49-50,53H,4-47H2,1-3H3