2-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(4-methylsulfonylphenyl)-3-oxo-2-(p-tolyl)propanoic acid CAS Name: 2-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-3-oxopropanoic acid IUPAC Name: 2-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-3-oxopropanoic acid Traditional Name: 3-keto-3-(4-mesylphenyl)-2-(p-tolyl)propionic acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C17H16O5S/c1-11-3-5-12(6-4-11)15(17(19)20)16(18)13-7-9-14(10-8-13)23(2,21)22/h3-10,15H,1-2H3,(H,19,20)