2,2-bis(docosanoyloxymethyl)butyl docosanoate

Systemtic Name: 2,2-bis(docosanoyloxymethyl)butyl docosanoate Openeye Name: 2,2-bis(docosanoyloxymethyl)butyl docosanoate CAS Name: docosanoic acid 2,2-bis(1-oxodocosoxymethyl)butyl ester IUPAC Name: 2,2-bis(docosanoyloxymethyl)butyl docosanoate Traditional Name: behenic acid 2,2-bis(docosanoyloxymethyl)butyl ester Formula: C72H140O6 MolecularWeight: 1101.8784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C72H140O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-54-57-60-63-69(73)76-66-72(8-4,67-77-70(74)64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)68-78-71(75)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h5-68H2,1-4H3