[2,2-bis(docosanoyloxymethyl)-3-(phenylcarbonyloxy)propyl] benzoate

Systemtic Name: [2,2-bis(docosanoyloxymethyl)-3-(phenylcarbonyloxy)propyl] benzoate Openeye Name: [2-(benzoyloxymethyl)-3-docosanoyloxy-2-(docosanoyloxymethyl)propyl] benzoate CAS Name: benzoic acid [2-(benzoyloxymethyl)-3-(1-oxodocosoxy)-2-(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [2-(benzoyloxymethyl)-3-docosanoyloxy-2-(docosanoyloxymethyl)propyl] benzoate Traditional Name: benzoic acid [2-(benzoyloxymethyl)-3-docosanoyloxy-2-(docosanoyloxymethyl)propyl] ester Formula: C63H104O8 MolecularWeight: 989.49506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)C1=CC=CC=C1)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C63H104O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45-51-59(64)68-53-63(55-70-61(66)57-47-41-39-42-48-57,56-71-62(67)58-49-43-40-44-50-58)54-69-60(65)52-46-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-44,47-50H,3-38,45-46,51-56H2,1-2H3