[1,1,2,3,3-pentadeuterio-1,3-di(hexadecanoyloxy)propan-2-yl] octadecanoate

Systemtic Name: [1,1,2,3,3-pentadeuterio-1,3-di(hexadecanoyloxy)propan-2-yl] octadecanoate Openeye Name: [1,2,2-trideuterio-1-[dideuterio(hexadecanoyloxy)methyl]-2-hexadecanoyloxy-ethyl] octadecanoate CAS Name: octadecanoic acid [1,1,2,3,3-pentadeuterio-1,3-bis(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [1,1,2,3,3-pentadeuterio-1,3-di(hexadecanoyloxy)propan-2-yl] octadecanoate Traditional Name: stearic acid [1,2,2-trideuterio-1-[dideuterio(hexadecanoyloxy)methyl]-2-hexadecanoyloxy-ethyl] ester Formula: C53H102O6 MolecularWeight: 840.404189

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

[2H]C([2H])(C([2H])(C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

InChI

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