[2-(heptacosoxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] octacosanoate

Systemtic Name: [2-(heptacosoxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] octacosanoate Openeye Name: [2-(heptacosoxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] octacosanoate CAS Name: octacosanoic acid [2-(heptacosoxymethyl)-3-(1-oxooctacosoxy)-2-(1-oxooctacosoxymethyl)propyl] ester IUPAC Name: [2-(heptacosoxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] octacosanoate Traditional Name: montanic acid [2-(heptacosoxymethyl)-3-octacosanoyloxy-2-(octacosanoyloxymethyl)propyl] ester Formula: C116H228O7 MolecularWeight: 1735.04732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C116H228O7/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(117)121-110-116(109-120-108-104-100-96-92-88-84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4,111-122-114(118)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)112-123-115(119)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/h5-112H2,1-4H3