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

Systemtic Name: [2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate Openeye Name: [2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate CAS Name: cycloheptacosanecarboxylic acid [2-[(2-methyl-1-oxoheptacosoxy)methyl]-3-(1-oxooctacosoxy)-2-(1-oxooctacosoxymethyl)propyl] ester IUPAC Name: [2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate Traditional Name: cycloheptacosanecarboxylic acid [2-(2-methylheptacosanoyloxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] ester Formula: C117H226O8 MolecularWeight: 1761.04154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C117H226O8/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-43-50-55-60-65-70-75-80-85-90-95-100-105-113(118)122-107-117(108-123-114(119)106-101-96-91-86-81-76-71-66-61-56-51-44-42-39-36-33-30-27-24-21-18-15-12-9-6-2,109-124-115(120)111(4)102-97-92-87-82-77-72-67-62-57-52-47-40-37-34-31-28-25-22-19-16-13-10-7-3)110-125-116(121)112-103-98-93-88-83-78-73-68-63-58-53-48-45-46-49-54-59-64-69-74-79-84-89-94-99-104-112/h111-112H,5-110H2,1-4H3