(3-docosanoyloxy-2,2-dimethyl-propyl) docosanoate

Systemtic Name: (3-docosanoyloxy-2,2-dimethyl-propyl) docosanoate Openeye Name: (3-docosanoyloxy-2,2-dimethyl-propyl) docosanoate CAS Name: docosanoic acid [2,2-dimethyl-3-(1-oxodocosoxy)propyl] ester IUPAC Name: (3-docosanoyloxy-2,2-dimethylpropyl) docosanoate Traditional Name: behenic acid (3-docosanoyloxy-2,2-dimethyl-propyl) ester Formula: C49H96O4 MolecularWeight: 749.28414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H96O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-47(50)52-45-49(3,4)46-53-48(51)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-46H2,1-4H3