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

Systemtic Name: [1-[3-(3-acetyloxy-2-docosanoyloxy-propoxy)-2-oxidanyl-propoxy]-3-oxidanyl-propan-2-yl] docosanoate Openeye Name: [1-[[3-(3-acetoxy-2-docosanoyloxy-propoxy)-2-hydroxy-propoxy]methyl]-2-hydroxy-ethyl] docosanoate CAS Name: docosanoic acid [1-[3-[3-acetyloxy-2-(1-oxodocosoxy)propoxy]-2-hydroxypropoxy]-3-hydroxypropan-2-yl] ester IUPAC Name: [1-[3-(3-acetyloxy-2-docosanoyloxypropoxy)-2-hydroxypropoxy]-3-hydroxypropan-2-yl] docosanoate Traditional Name: behenic acid [1-[[3-(3-acetoxy-2-docosanoyloxy-propoxy)-2-hydroxy-propoxy]methyl]-2-hydroxy-ethyl] ester Formula: C55H106O10 MolecularWeight: 927.42414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H106O10/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-54(59)64-52(44-56)47-61-45-51(58)46-62-48-53(49-63-50(3)57)65-55(60)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h51-53,56,58H,4-49H2,1-3H3