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

Systemtic Name: 7-[2-[(E)-4,4-dimethyl-3-oxidanyl-oct-1-enyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-3-hydroxy-4,4-dimethyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H38O4 MolecularWeight: 366.53472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C=CC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(/C=C/C1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C22H38O4/c1-4-5-16-22(2,3)20(24)15-13-17-12-14-19(23)18(17)10-8-6-7-9-11-21(25)26/h13,15,17-18,20,24H,4-12,14,16H2,1-3H3,(H,25,26)/b15-13+