[3-[3-[2,3-di(docosanoyloxy)propoxy]-2-docosanoyloxy-propoxy]-2-docosanoyloxy-propyl] cyclohenicosanecarboxylate

Systemtic Name: [3-[3-[2,3-di(docosanoyloxy)propoxy]-2-docosanoyloxy-propoxy]-2-docosanoyloxy-propyl] cyclohenicosanecarboxylate Openeye Name: [3-[3-[2,3-di(docosanoyloxy)propoxy]-2-docosanoyloxy-propoxy]-2-docosanoyloxy-propyl] cyclohenicosanecarboxylate CAS Name: cycloheneicosanecarboxylic acid [3-[3-[2,3-bis(1-oxodocosoxy)propoxy]-2-(1-oxodocosoxy)propoxy]-2-(1-oxodocosoxy)propyl] ester IUPAC Name: [3-[3-[2,3-di(docosanoyloxy)propoxy]-2-docosanoyloxypropoxy]-2-docosanoyloxypropyl] cyclohenicosanecarboxylate Traditional Name: cycloheneicosanecarboxylic acid [3-[3-[2,3-di(docosanoyloxy)propoxy]-2-docosanoyloxy-propoxy]-2-docosanoyloxy-propyl] ester Formula: C119H228O12 MolecularWeight: 1851.07642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(COC(=O)C1CCCCCCCCCCCCCCCCCCCC1)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COCC(COC(=O)C1CCCCCCCCCCCCCCCCCCCC1)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C119H228O12/c1-5-9-13-17-21-25-29-33-37-41-45-53-59-65-71-77-83-89-95-101-115(120)127-109-113(130-117(122)103-97-91-85-79-73-67-61-55-47-43-39-35-31-27-23-19-15-11-7-3)107-125-105-112(129-116(121)102-96-90-84-78-72-66-60-54-46-42-38-34-30-26-22-18-14-10-6-2)106-126-108-114(131-118(123)104-98-92-86-80-74-68-62-56-48-44-40-36-32-28-24-20-16-12-8-4)110-128-119(124)111-99-93-87-81-75-69-63-57-51-49-50-52-58-64-70-76-82-88-94-100-111/h111-114H,5-110H2,1-4H3