[3-(2-methylhenicosanoyloxy)-2,2-bis(2-methylhenicosanoyloxymethyl)propyl] 2-methylhenicosanoate

Systemtic Name: [3-(2-methylhenicosanoyloxy)-2,2-bis(2-methylhenicosanoyloxymethyl)propyl] 2-methylhenicosanoate Openeye Name: [3-(2-methylhenicosanoyloxy)-2,2-bis(2-methylhenicosanoyloxymethyl)propyl] 2-methylhenicosanoate CAS Name: 2-methylheneicosanoic acid [3-(2-methyl-1-oxoheneicosoxy)-2,2-bis[(2-methyl-1-oxoheneicosoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylhenicosanoyloxy)-2,2-bis(2-methylhenicosanoyloxymethyl)propyl] 2-methylhenicosanoate Traditional Name: 2-methylheneicosanoic acid [3-(2-methylheneicosanoyloxy)-2,2-bis(2-methylheneicosanoyloxymethyl)propyl] ester Formula: C93H180O8 MolecularWeight: 1426.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C93H180O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-85(5)89(94)98-81-93(82-99-90(95)86(6)78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,83-100-91(96)87(7)79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)84-101-92(97)88(8)80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h85-88H,9-84H2,1-8H3