4-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2-(phenylcarbonyl)benzoic acid

Systemtic Name: 4-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)-2-(phenylcarbonyl)benzoic acid Openeye Name: 2-benzoyl-4-(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)benzoic acid CAS Name: 2-benzoyl-4-(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoic acid IUPAC Name: 2-benzoyl-4-(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoic acid Traditional Name: 2-benzoyl-4-(5-hydroxy-5-keto-1,1-dimethyl-pentyl)benzoic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC(=O)O)C1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=CC(=C(C=C1)C(=O)O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22O5/c1-21(2,12-6-9-18(22)23)15-10-11-16(20(25)26)17(13-15)19(24)14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,22,23)(H,25,26)