[2-[1,2-di(docosanoyloxy)ethylsulfanyl]-2-docosanoyloxy-ethyl] docosanoate

Systemtic Name: [2-[1,2-di(docosanoyloxy)ethylsulfanyl]-2-docosanoyloxy-ethyl] docosanoate Openeye Name: [2-[1,2-di(docosanoyloxy)ethylsulfanyl]-2-docosanoyloxy-ethyl] docosanoate CAS Name: docosanoic acid [2-[1,2-bis(1-oxodocosoxy)ethylthio]-2-(1-oxodocosoxy)ethyl] ester IUPAC Name: [2-[1,2-di(docosanoyloxy)ethylsulfanyl]-2-docosanoyloxyethyl] docosanoate Traditional Name: behenic acid [2-[1,2-di(docosanoyloxy)ethylthio]-2-docosanoyloxy-ethyl] ester Formula: C92H178O8S MolecularWeight: 1444.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)SC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)SC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C92H178O8S/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-87(93)97-85-91(99-89(95)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)101-92(100-90(96)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)86-98-88(94)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h91-92H,5-86H2,1-4H3