(2-decanoyloxy-3-hexadecanoyloxy-propyl) docosanoate

Systemtic Name: (2-decanoyloxy-3-hexadecanoyloxy-propyl) docosanoate Openeye Name: (2-decanoyloxy-3-hexadecanoyloxy-propyl) docosanoate CAS Name: docosanoic acid [2-(1-oxodecoxy)-3-(1-oxohexadecoxy)propyl] ester IUPAC Name: (2-decanoyloxy-3-hexadecanoyloxypropyl) docosanoate Traditional Name: behenic acid (2-capryloxy-3-hexadecanoyloxy-propyl) ester Formula: C51H98O6 MolecularWeight: 807.32022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCC

InChI

InChI=1S/C51H98O6/c1-4-7-10-13-16-18-20-22-23-24-25-26-27-29-31-33-36-38-41-44-50(53)56-47-48(57-51(54)45-42-39-34-15-12-9-6-3)46-55-49(52)43-40-37-35-32-30-28-21-19-17-14-11-8-5-2/h48H,4-47H2,1-3H3