3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 4-oxo-4-phenyl-3-(p-tolylsulfonyl)butanoic acid CAS Name: 3-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-4-phenyl-3-tosyl-butyric acid Formula: C17H16O5S MolecularWeight: 332.37094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O5S/c1-12-7-9-14(10-8-12)23(21,22)15(11-16(18)19)17(20)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3,(H,18,19)