7-[2-[(E)-2-(2,6-dimethyl-4-oxidanyl-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(E)-2-(2,6-dimethyl-4-oxidanyl-phenyl)ethenyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(E)-2-(4-hydroxy-2,6-dimethyl-phenyl)vinyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(E)-2-(4-hydroxy-2,6-dimethyl-phenyl)vinyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C=CC2CCC(=O)C2CCCCCCC(=O)O)C)O

Isomeric SMILES

CC1=CC(=CC(=C1/C=C/C2CCC(=O)C2CCCCCCC(=O)O)C)O

InChI

InChI=1S/C22H30O4/c1-15-13-18(23)14-16(2)19(15)11-9-17-10-12-21(24)20(17)7-5-3-4-6-8-22(25)26/h9,11,13-14,17,20,23H,3-8,10,12H2,1-2H3,(H,25,26)/b11-9+