7-[2-(4,4-dimethyl-3-oxidanyl-oct-1-ynyl)-5-oxidanylidene-cyclopenten-1-yl]heptanoic acid

Systemtic Name: 7-[2-(4,4-dimethyl-3-oxidanyl-oct-1-ynyl)-5-oxidanylidene-cyclopenten-1-yl]heptanoic acid Openeye Name: 7-[2-(3-hydroxy-4,4-dimethyl-oct-1-ynyl)-5-oxo-cyclopenten-1-yl]heptanoic acid CAS Name: 7-[2-(3-hydroxy-4,4-dimethyloct-1-ynyl)-5-oxo-1-cyclopentenyl]heptanoic acid IUPAC Name: 7-[2-(3-hydroxy-4,4-dimethyloct-1-ynyl)-5-oxocyclopenten-1-yl]heptanoic acid Traditional Name: 7-[2-(3-hydroxy-4,4-dimethyl-oct-1-ynyl)-5-keto-cyclopenten-1-yl]enanthic acid Formula: C22H34O4 MolecularWeight: 362.50296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(C#CC1=C(C(=O)CC1)CCCCCCC(=O)O)O

Isomeric SMILES

CCCCC(C)(C)C(C#CC1=C(C(=O)CC1)CCCCCCC(=O)O)O

InChI

InChI=1S/C22H34O4/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/h20,24H,4-12,14,16H2,1-3H3,(H,25,26)