[3-(2-methylpentacosanoyloxy)-2,2-bis(2-methylpentacosanoyloxymethyl)propyl] 2-methylpentacosanoate

Systemtic Name: [3-(2-methylpentacosanoyloxy)-2,2-bis(2-methylpentacosanoyloxymethyl)propyl] 2-methylpentacosanoate Openeye Name: [3-(2-methylpentacosanoyloxy)-2,2-bis(2-methylpentacosanoyloxymethyl)propyl] 2-methylpentacosanoate CAS Name: 2-methylpentacosanoic acid [3-(2-methyl-1-oxopentacosoxy)-2,2-bis[(2-methyl-1-oxopentacosoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylpentacosanoyloxy)-2,2-bis(2-methylpentacosanoyloxymethyl)propyl] 2-methylpentacosanoate Traditional Name: 2-methylpentacosanoic acid [3-(2-methylpentacosanoyloxy)-2,2-bis(2-methylpentacosanoyloxymethyl)propyl] ester Formula: C109H212O8 MolecularWeight: 1650.84478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C109H212O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-101(5)105(110)114-97-109(98-115-106(111)102(6)94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,99-116-107(112)103(7)95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)100-117-108(113)104(8)96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h101-104H,9-100H2,1-8H3