3,3-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 3,3-dimethyl-2-(methylsulfanylmethyl)-4-oxidanylidene-4-(4-phenylphenyl)butanoic acid Openeye Name: 3,3-dimethyl-2-(methylsulfanylmethyl)-4-oxo-4-(4-phenylphenyl)butanoic acid CAS Name: 3,3-dimethyl-2-[(methylthio)methyl]-4-oxo-4-(4-phenylphenyl)butanoic acid IUPAC Name: 3,3-dimethyl-2-(methylsulfanylmethyl)-4-oxo-4-(4-phenylphenyl)butanoic acid Traditional Name: 4-keto-3,3-dimethyl-2-[(methylthio)methyl]-4-(4-phenylphenyl)butyric acid Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22O3S/c1-20(2,17(13-24-3)19(22)23)18(21)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,22,23)