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

Systemtic Name: [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] octacosanoate Openeye Name: [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] octacosanoate CAS Name: octacosanoic acid [3-(1-oxooctacosoxy)-2,2-bis(1-oxooctacosoxymethyl)propyl] ester IUPAC Name: [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] octacosanoate Traditional Name: montanic acid [3-octacosanoyloxy-2,2-bis(octacosanoyloxymethyl)propyl] ester Formula: C117H228O8 MolecularWeight: 1763.05742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C117H228O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-85-89-93-97-101-105-113(118)122-109-117(110-123-114(119)106-102-98-94-90-86-82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,111-124-115(120)107-103-99-95-91-87-83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)112-125-116(121)108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-112H2,1-4H3