7-[2-[(E)-3-(dioxidanyl)-4-methyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-3-(dioxidanyl)-4-methyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-hydroperoxy-4-methyl-oct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-hydroperoxy-4-methyloct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-hydroperoxy-4-methyloct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-hydroperoxy-4-methyl-oct-1-enyl]-3-hydroxy-5-keto-cyclopentyl]enanthic acid Formula: C21H36O6 MolecularWeight: 384.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)OO

Isomeric SMILES

CCCCC(C)C(/C=C/C1C(CC(=O)C1CCCCCCC(=O)O)O)OO

InChI

InChI=1S/C21H36O6/c1-3-4-9-15(2)20(27-26)13-12-17-16(18(22)14-19(17)23)10-7-5-6-8-11-21(24)25/h12-13,15-17,19-20,23,26H,3-11,14H2,1-2H3,(H,24,25)/b13-12+