7-[2-oxidanylidene-5-(3-oxidanyloct-4-ynyl)cyclopentyl]-2-phenyl-heptanoic acid

Systemtic Name: 7-[2-oxidanylidene-5-(3-oxidanyloct-4-ynyl)cyclopentyl]-2-phenyl-heptanoic acid Openeye Name: 7-[2-(3-hydroxyoct-4-ynyl)-5-oxo-cyclopentyl]-2-phenyl-heptanoic acid CAS Name: 7-[2-(3-hydroxyoct-4-ynyl)-5-oxocyclopentyl]-2-phenylheptanoic acid IUPAC Name: 7-[2-(3-hydroxyoct-4-ynyl)-5-oxocyclopentyl]-2-phenylheptanoic acid Traditional Name: 7-[2-(3-hydroxyoct-4-ynyl)-5-keto-cyclopentyl]-2-phenyl-enanthic acid Formula: C26H36O4 MolecularWeight: 412.56164

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(CCC1CCC(=O)C1CCCCCC(C2=CC=CC=C2)C(=O)O)O

Isomeric SMILES

CCCC#CC(CCC1CCC(=O)C1CCCCCC(C2=CC=CC=C2)C(=O)O)O

InChI

InChI=1S/C26H36O4/c1-2-3-6-13-22(27)18-16-21-17-19-25(28)23(21)14-9-5-10-15-24(26(29)30)20-11-7-4-8-12-20/h4,7-8,11-12,21-24,27H,2-3,5,9-10,14-19H2,1H3,(H,29,30)