[2,2-bis(docosanoyloxymethyl)-3-oxidanyl-propyl] docosanoate

Systemtic Name: [2,2-bis(docosanoyloxymethyl)-3-oxidanyl-propyl] docosanoate Openeye Name: [2,2-bis(docosanoyloxymethyl)-3-hydroxy-propyl] docosanoate CAS Name: docosanoic acid [2-(hydroxymethyl)-3-(1-oxodocosoxy)-2-(1-oxodocosoxymethyl)propyl] ester IUPAC Name: [2,2-bis(docosanoyloxymethyl)-3-hydroxypropyl] docosanoate Traditional Name: behenic acid [2,2-bis(docosanoyloxymethyl)-3-hydroxy-propyl] ester Formula: C71H138O7 MolecularWeight: 1103.85122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C71H138O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-68(73)76-65-71(64-72,66-77-69(74)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)67-78-70(75)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h72H,4-67H2,1-3H3