2-[4-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(2-methyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl)phenyl]carbonylbenzoic acid Openeye Name: 2-[4-(5-hydroxy-1,1-dimethyl-5-oxo-pentyl)benzoyl]benzoic acid CAS Name: 2-[[4-(6-hydroxy-2-methyl-6-oxohexan-2-yl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-(6-hydroxy-2-methyl-6-oxohexan-2-yl)benzoyl]benzoic acid Traditional Name: 2-[4-(5-hydroxy-5-keto-1,1-dimethyl-pentyl)benzoyl]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)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)(CCCC(=O)O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

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