2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 2-[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 2-[2-(3,4-dimethylphenyl)-2-oxo-ethyl]benzoic acid CAS Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]benzoic acid IUPAC Name: 2-[2-(3,4-dimethylphenyl)-2-oxoethyl]benzoic acid Traditional Name: 2-[2-(3,4-dimethylphenyl)-2-keto-ethyl]benzoic acid Formula: C17H16O3 MolecularWeight: 268.30714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CC2=CC=CC=C2C(=O)O)C

InChI

InChI=1S/C17H16O3/c1-11-7-8-14(9-12(11)2)16(18)10-13-5-3-4-6-15(13)17(19)20/h3-9H,10H2,1-2H3,(H,19,20)