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

Systemtic Name: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] benzoate Openeye Name: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] benzoate CAS Name: benzoic acid [3-(1-oxodocosoxy)-2,2-bis(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] benzoate Traditional Name: benzoic acid [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] ester Formula: C78H142O8 MolecularWeight: 1207.95728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C78H142O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-61-66-74(79)83-69-78(72-86-77(82)73-64-59-58-60-65-73,70-84-75(80)67-62-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)71-85-76(81)68-63-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h58-60,64-65H,4-57,61-63,66-72H2,1-3H3