(1,1,2,3,3-pentadeuterio-2-dodecanoyloxy-3-nonadecanoyloxy-propyl) nonadecanoate

Systemtic Name: (1,1,2,3,3-pentadeuterio-2-dodecanoyloxy-3-nonadecanoyloxy-propyl) nonadecanoate Openeye Name: (1,1,2,3,3-pentadeuterio-2-dodecanoyloxy-3-nonadecanoyloxy-propyl) nonadecanoate CAS Name: nonadecanoic acid [1,1,2,3,3-pentadeuterio-2-(1-oxododecoxy)-3-(1-oxononadecoxy)propyl] ester IUPAC Name: (1,1,2,3,3-pentadeuterio-2-dodecanoyloxy-3-nonadecanoyloxypropyl) nonadecanoate Traditional Name: nonadecanoic acid (1,1,2,3,3-pentadeuterio-2-lauroyloxy-3-nonadecanoyloxy-propyl) ester Formula: C53H102O6 MolecularWeight: 840.404189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H102O6/c1-4-7-10-13-16-19-21-23-25-27-29-31-34-36-39-42-45-51(54)57-48-50(59-53(56)47-44-41-38-33-18-15-12-9-6-3)49-58-52(55)46-43-40-37-35-32-30-28-26-24-22-20-17-14-11-8-5-2/h50H,4-49H2,1-3H3/i48D2,49D2,50D