[3-(2-methylheptacosanoyloxy)-2,2-bis(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate

Systemtic Name: [3-(2-methylheptacosanoyloxy)-2,2-bis(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate Openeye Name: [3-(2-methylheptacosanoyloxy)-2,2-bis(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate CAS Name: 2-methylheptacosanoic acid [3-(2-methyl-1-oxoheptacosoxy)-2,2-bis[(2-methyl-1-oxoheptacosoxy)methyl]propyl] ester IUPAC Name: [3-(2-methylheptacosanoyloxy)-2,2-bis(2-methylheptacosanoyloxymethyl)propyl] 2-methylheptacosanoate Traditional Name: 2-methylheptacosanoic acid [3-(2-methylheptacosanoyloxy)-2,2-bis(2-methylheptacosanoyloxymethyl)propyl] ester Formula: C117H228O8 MolecularWeight: 1763.05742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C117H228O8/c1-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-109(5)113(118)122-105-117(106-123-114(119)110(6)102-98-94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-2,107-124-115(120)111(7)103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-3)108-125-116(121)112(8)104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-4/h109-112H,9-108H2,1-8H3