3-methylsulfonyl-4-(2-phenylethanoyl)benzoic acid

Systemtic Name: 3-methylsulfonyl-4-(2-phenylethanoyl)benzoic acid Openeye Name: 3-methylsulfonyl-4-(2-phenylacetyl)benzoic acid CAS Name: 3-methylsulfonyl-4-(1-oxo-2-phenylethyl)benzoic acid IUPAC Name: 3-methylsulfonyl-4-(2-phenylacetyl)benzoic acid Traditional Name: 3-mesyl-4-(2-phenylacetyl)benzoic acid Formula: C16H14O5S MolecularWeight: 318.34436

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H14O5S/c1-22(20,21)15-10-12(16(18)19)7-8-13(15)14(17)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19)