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

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

Isomeric SMILES

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

InChI

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