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

Systemtic Name: 7-[2-[(E)-3-(dioxidanyl)-4,4-dimethyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-hydroperoxy-4,4-dimethyl-oct-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-hydroperoxy-4,4-dimethyloct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-hydroperoxy-4,4-dimethyloct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-hydroperoxy-4,4-dimethyl-oct-1-enyl]-3-hydroxy-5-keto-cyclopentyl]enanthic acid Formula: C22H38O6 MolecularWeight: 398.53352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38O6/c1-4-5-14-22(2,3)20(28-27)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(25)26/h12-13,16-17,19-20,24,27H,4-11,14-15H2,1-3H3,(H,25,26)/b13-12+