[3-hexacosanoyloxy-2,2-bis(hexacosanoyloxymethyl)propyl] cyclopentacosanecarboxylate

Systemtic Name: [3-hexacosanoyloxy-2,2-bis(hexacosanoyloxymethyl)propyl] cyclopentacosanecarboxylate Openeye Name: [3-hexacosanoyloxy-2,2-bis(hexacosanoyloxymethyl)propyl] cyclopentacosanecarboxylate CAS Name: cyclopentacosanecarboxylic acid [3-(1-oxohexacosoxy)-2,2-bis(1-oxohexacosoxymethyl)propyl] ester IUPAC Name: [3-hexacosanoyloxy-2,2-bis(hexacosanoyloxymethyl)propyl] cyclopentacosanecarboxylate Traditional Name: cyclopentacosanecarboxylic acid [3-hexacosanoyloxy-2,2-bis(hexacosanoyloxymethyl)propyl] ester Formula: C109H210O8 MolecularWeight: 1648.8289

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C1CCCCCCCCCCCCCCCCCCCCCCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)C1CCCCCCCCCCCCCCCCCCCCCCCC1

InChI

InChI=1S/C109H210O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-47-52-57-62-67-72-77-82-87-92-97-105(110)114-100-109(101-115-106(111)98-93-88-83-78-73-68-63-58-53-48-41-38-35-32-29-26-23-20-17-14-11-8-5-2,102-116-107(112)99-94-89-84-79-74-69-64-59-54-49-42-39-36-33-30-27-24-21-18-15-12-9-6-3)103-117-108(113)104-95-90-85-80-75-70-65-60-55-50-45-43-44-46-51-56-61-66-71-76-81-86-91-96-104/h104H,4-103H2,1-3H3