[2,3,4,5,6-pentakis(9-oxidanylidenenonanoyloxy)cyclohexyl] 9-oxidanylidenenonanoate

Systemtic Name: [2,3,4,5,6-pentakis(9-oxidanylidenenonanoyloxy)cyclohexyl] 9-oxidanylidenenonanoate Openeye Name: [2,3,4,5,6-pentakis(9-oxononanoyloxy)cyclohexyl] 9-oxononanoate CAS Name: 9-oxononanoic acid [2,3,4,5,6-pentakis(1,9-dioxononoxy)cyclohexyl] ester IUPAC Name: [2,3,4,5,6-pentakis(9-oxononanoyloxy)cyclohexyl] 9-oxononanoate Traditional Name: 9-ketopelargonic acid [2,3,4,5,6-pentakis(9-ketononanoyloxy)cyclohexyl] ester Formula: C60H96O18 MolecularWeight: 1105.39344

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC=O)CCCC(=O)OC1C(C(C(C(C1OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O

Isomeric SMILES

C(CCCC=O)CCCC(=O)OC1C(C(C(C(C1OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O)OC(=O)CCCCCCCC=O

InChI

InChI=1S/C60H96O18/c61-43-31-19-7-1-13-25-37-49(67)73-55-56(74-50(68)38-26-14-2-8-20-32-44-62)58(76-52(70)40-28-16-4-10-22-34-46-64)60(78-54(72)42-30-18-6-12-24-36-48-66)59(77-53(71)41-29-17-5-11-23-35-47-65)57(55)75-51(69)39-27-15-3-9-21-33-45-63/h43-48,55-60H,1-42H2