(E)-7-[2-(4-tert-butylphenyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid

Systemtic Name: (E)-7-[2-(4-tert-butylphenyl)-3-oxidanyl-5-oxidanylidene-cyclopentyl]hept-5-enoic acid Openeye Name: (E)-7-[2-(4-tert-butylphenyl)-3-hydroxy-5-oxo-cyclopentyl]hept-5-enoic acid CAS Name: (E)-7-[2-(4-tert-butylphenyl)-3-hydroxy-5-oxocyclopentyl]-5-heptenoic acid IUPAC Name: (E)-7-[2-(4-tert-butylphenyl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid Traditional Name: (E)-7-[2-(4-tert-butylphenyl)-3-hydroxy-5-keto-cyclopentyl]hept-5-enoic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(CC(=O)C2CC=CCCCC(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(CC(=O)C2C/C=C/CCCC(=O)O)O

InChI

InChI=1S/C22H30O4/c1-22(2,3)16-12-10-15(11-13-16)21-17(18(23)14-19(21)24)8-6-4-5-7-9-20(25)26/h4,6,10-13,17,19,21,24H,5,7-9,14H2,1-3H3,(H,25,26)/b6-4+