2-(3,4-dichlorophenyl)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(3,4-dichlorophenyl)-3-(4-methylsulfonylphenyl)-3-oxidanylidene-propanoic acid Openeye Name: 2-(3,4-dichlorophenyl)-3-(4-methylsulfonylphenyl)-3-oxo-propanoic acid CAS Name: 2-(3,4-dichlorophenyl)-3-(4-methylsulfonylphenyl)-3-oxopropanoic acid IUPAC Name: 2-(3,4-dichlorophenyl)-3-(4-methylsulfonylphenyl)-3-oxopropanoic acid Traditional Name: 2-(3,4-dichlorophenyl)-3-keto-3-(4-mesylphenyl)propionic acid Formula: C16H12Cl2O5S MolecularWeight: 387.23448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12Cl2O5S/c1-24(22,23)11-5-2-9(3-6-11)15(19)14(16(20)21)10-4-7-12(17)13(18)8-10/h2-8,14H,1H3,(H,20,21)