1-[2-[1-(dioxidanyl)-12-heptan-4-yloxy-octadecoxy]-2-hexyl-cycloundecyl]-2-oxidanyl-2-propyl-pentan-1-one

Systemtic Name: 1-[2-[1-(dioxidanyl)-12-heptan-4-yloxy-octadecoxy]-2-hexyl-cycloundecyl]-2-oxidanyl-2-propyl-pentan-1-one Openeye Name: 1-[2-hexyl-2-[1-hydroperoxy-12-(1-propylbutoxy)octadecoxy]cycloundecyl]-2-hydroxy-2-propyl-pentan-1-one CAS Name: 1-[2-(12-heptan-4-yloxy-1-hydroperoxyoctadecoxy)-2-hexylcycloundecyl]-2-hydroxy-2-propyl-1-pentanone IUPAC Name: 1-[2-(12-heptan-4-yloxy-1-hydroperoxyoctadecoxy)-2-hexylcycloundecyl]-2-hydroxy-2-propylpentan-1-one Traditional Name: 1-[2-hexyl-2-[1-hydroperoxy-12-(1-propylbutoxy)octadecoxy]cycloundecyl]-2-hydroxy-2-propyl-pentan-1-one Formula: C50H98O6 MolecularWeight: 795.30952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(OC1(CCCCCCCCCC1C(=O)C(CCC)(CCC)O)CCCCCC)OO)OC(CCC)CCC

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(OC1(CCCCCCCCCC1C(=O)C(CCC)(CCC)O)CCCCCC)OO)OC(CCC)CCC

InChI

InChI=1S/C50H98O6/c1-7-13-15-28-36-45(54-44(34-9-3)35-10-4)37-29-24-20-17-18-22-26-31-39-47(56-53)55-50(42-32-16-14-8-2)43-33-27-23-19-21-25-30-38-46(50)48(51)49(52,40-11-5)41-12-6/h44-47,52-53H,7-43H2,1-6H3