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

Systemtic Name: 7-[2-[(E)-5,5-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-hydroxy-5,5-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-hydroxy-5,5-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H38O4 MolecularWeight: 366.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)CC(C=CC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCC(C)(C)CC(/C=C/C1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C22H38O4/c1-4-15-22(2,3)16-18(23)13-11-17-12-14-20(24)19(17)9-7-5-6-8-10-21(25)26/h11,13,17-19,23H,4-10,12,14-16H2,1-3H3,(H,25,26)/b13-11+