(1-icosanoyloxy-3-nonadecanoyloxy-propan-2-yl) henicosanoate

Systemtic Name: (1-icosanoyloxy-3-nonadecanoyloxy-propan-2-yl) henicosanoate Openeye Name: [1-(icosanoyloxymethyl)-2-nonadecanoyloxy-ethyl] henicosanoate CAS Name: heneicosanoic acid [1-(1-oxoeicosoxy)-3-(1-oxononadecoxy)propan-2-yl] ester IUPAC Name: (1-icosanoyloxy-3-nonadecanoyloxypropan-2-yl) henicosanoate Traditional Name: heneicosanoic acid [1-(eicosanoyloxymethyl)-2-nonadecanoyloxy-ethyl] ester Formula: C63H122O6 MolecularWeight: 975.63918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C63H122O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h60H,4-59H2,1-3H3