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

Systemtic Name: [2-methyl-2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-propyl] cycloheptacosanecarboxylate Openeye Name: [2-methyl-2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-propyl] cycloheptacosanecarboxylate CAS Name: cycloheptacosanecarboxylic acid [2-methyl-2-[(2-methyl-1-oxoheptacosoxy)methyl]-3-(1-oxooctacosoxy)propyl] ester IUPAC Name: [2-methyl-2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxypropyl] cycloheptacosanecarboxylate Traditional Name: cycloheptacosanecarboxylic acid [2-methyl-2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-propyl] ester Formula: C89H172O6 MolecularWeight: 1338.31438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C89H172O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-30-36-40-44-48-52-56-60-64-68-72-76-80-86(90)93-81-89(4,82-94-87(91)84(3)77-73-69-65-61-57-53-49-45-41-37-33-28-26-24-22-20-18-16-14-12-10-8-6-2)83-95-88(92)85-78-74-70-66-62-58-54-50-46-42-38-34-31-32-35-39-43-47-51-55-59-63-67-71-75-79-85/h84-85H,5-83H2,1-4H3