5-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-(phenylcarbonyl)benzoic acid

Systemtic Name: 5-(6-methoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-(phenylcarbonyl)benzoic acid Openeye Name: 2-benzoyl-5-(5-methoxy-1,1-dimethyl-5-oxo-pentyl)benzoic acid CAS Name: 2-benzoyl-5-(6-methoxy-2-methyl-6-oxohexan-2-yl)benzoic acid IUPAC Name: 2-benzoyl-5-(6-methoxy-2-methyl-6-oxohexan-2-yl)benzoic acid Traditional Name: 2-benzoyl-5-(5-keto-5-methoxy-1,1-dimethyl-pentyl)benzoic acid Formula: C22H24O5 MolecularWeight: 368.42296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24O5/c1-22(2,13-7-10-19(23)27-3)16-11-12-17(18(14-16)21(25)26)20(24)15-8-5-4-6-9-15/h4-6,8-9,11-12,14H,7,10,13H2,1-3H3,(H,25,26)