[2-methyl-3-(2-methylheptacosanoyloxy)-2-(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate

Systemtic Name: [2-methyl-3-(2-methylheptacosanoyloxy)-2-(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate Openeye Name: [2-methyl-3-(2-methylheptacosanoyloxy)-2-(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate CAS Name: 2-methylheptacosanoic acid [2-methyl-3-(2-methyl-1-oxoheptacosoxy)-2-[(2-methyl-1-oxoheptacosoxy)methyl]propyl] ester IUPAC Name: [2-methyl-3-(2-methylheptacosanoyloxy)-2-(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate Traditional Name: 2-methylheptacosanoic acid [2-methyl-3-(2-methylheptacosanoyloxy)-2-(2-methylheptacosanoyloxymethyl)propyl] ester Formula: C89H174O6 MolecularWeight: 1340.33026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(C)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(C)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C89H174O6/c1-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56-59-62-65-68-71-74-77-83(4)86(90)93-80-89(7,81-94-87(91)84(5)78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-2)82-95-88(92)85(6)79-76-73-70-67-64-61-58-55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-3/h83-85H,8-82H2,1-7H3