[2-(cycloheptacosylcarbonyloxymethyl)-2-methyl-3-octacosanoyloxy-propyl] cycloheptacosanecarboxylate

Systemtic Name: [2-(cycloheptacosylcarbonyloxymethyl)-2-methyl-3-octacosanoyloxy-propyl] cycloheptacosanecarboxylate Openeye Name: [2-(cycloheptacosanecarbonyloxymethyl)-2-methyl-3-octacosanoyloxy-propyl] cycloheptacosanecarboxylate CAS Name: cycloheptacosanecarboxylic acid [2-[[cycloheptacosyl(oxo)methoxy]methyl]-2-methyl-3-(1-oxooctacosoxy)propyl] ester IUPAC Name: [2-(cycloheptacosanecarbonyloxymethyl)-2-methyl-3-octacosanoyloxypropyl] cycloheptacosanecarboxylate Traditional Name: cycloheptacosanecarboxylic acid [2-(cycloheptacosanecarbonyloxymethyl)-2-methyl-3-octacosanoyloxy-propyl] ester Formula: C89H170O6 MolecularWeight: 1336.2985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)(COC(=O)C1CCCCCCCCCCCCCCCCCCCCCCCCCC1)COC(=O)C2CCCCCCCCCCCCCCCCCCCCCCCCCC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)(COC(=O)C1CCCCCCCCCCCCCCCCCCCCCCCCCC1)COC(=O)C2CCCCCCCCCCCCCCCCCCCCCCCCCC2

InChI

InChI=1S/C89H170O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-30-35-40-45-50-55-60-65-70-75-80-86(90)93-81-89(2,82-94-87(91)84-76-71-66-61-56-51-46-41-36-31-26-21-17-18-22-27-32-37-42-47-52-57-62-67-72-77-84)83-95-88(92)85-78-73-68-63-58-53-48-43-38-33-28-23-19-20-24-29-34-39-44-49-54-59-64-69-74-79-85/h84-85H,3-83H2,1-2H3