8-[2-[(E)-3-(dioxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]octanoic acid

Systemtic Name: 8-[2-[(E)-3-(dioxidanyl)oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]octanoic acid Openeye Name: 8-[2-[(E)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]octanoic acid CAS Name: 8-[2-[(E)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]octanoic acid IUPAC Name: 8-[2-[(E)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]octanoic acid Traditional Name: 8-[2-[(E)-3-hydroperoxyoct-1-enyl]-3-hydroxy-5-keto-cyclopentyl]caprylic acid Formula: C21H36O6 MolecularWeight: 384.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1C(CC(=O)C1CCCCCCCC(=O)O)O)OO

Isomeric SMILES

CCCCCC(/C=C/C1C(CC(=O)C1CCCCCCCC(=O)O)O)OO

InChI

InChI=1S/C21H36O6/c1-2-3-7-10-16(27-26)13-14-18-17(19(22)15-20(18)23)11-8-5-4-6-9-12-21(24)25/h13-14,16-18,20,23,26H,2-12,15H2,1H3,(H,24,25)/b14-13+