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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C89H172O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-40-44-48-52-56-60-64-68-72-76-80-86(90)93-82-89(3,83-94-87(91)81-77-73-69-65-61-57-53-49-45-41-37-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)84-95-88(92)85-78-74-70-66-62-58-54-50-46-42-38-34-32-33-35-39-43-47-51-55-59-63-67-71-75-79-85/h85H,4-84H2,1-3H3