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

Systemtic Name: 2-methyl-3-(4-methylphenyl)sulfonyl-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-methyl-4-oxo-4-phenyl-3-(p-tolylsulfonyl)butanoic acid CAS Name: 2-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-4-phenylbutanoic acid Traditional Name: 4-keto-2-methyl-4-phenyl-3-tosyl-butyric acid Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18O5S/c1-12-8-10-15(11-9-12)24(22,23)17(13(2)18(20)21)16(19)14-6-4-3-5-7-14/h3-11,13,17H,1-2H3,(H,20,21)