[3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate

Systemtic Name: [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate Openeye Name: [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate CAS Name: cycloheptacosanecarboxylic acid [3-(1-oxooctacosoxy)-2,2-bis(1-oxooctacosoxymethyl)propyl] ester IUPAC Name: [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] cycloheptacosanecarboxylate Traditional Name: cycloheptacosanecarboxylic acid [3-octacosanoyloxy-2,2-bis(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)CCCCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C1CCCCCCCCCCCCCCCCCCCCCCCCCC1

Isomeric SMILES

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

InChI

InChI=1S/C117H226O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-50-55-60-65-70-75-80-85-90-95-100-105-113(118)122-108-117(109-123-114(119)106-101-96-91-86-81-76-71-66-61-56-51-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2,110-124-115(120)107-102-97-92-87-82-77-72-67-62-57-52-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)111-125-116(121)112-103-98-93-88-83-78-73-68-63-58-53-48-46-47-49-54-59-64-69-74-79-84-89-94-99-104-112/h112H,4-111H2,1-3H3