4-(4-chlorophenyl)-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-(4-chlorophenyl)-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-(4-chlorophenyl)-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(4-chlorophenyl)-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-(4-chlorophenyl)-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(4-chlorophenyl)-5-mesyl-2-methyl-benzoic acid Formula: C15H13ClO4S MolecularWeight: 324.77932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO4S/c1-9-7-13(10-3-5-11(16)6-4-10)14(21(2,19)20)8-12(9)15(17)18/h3-8H,1-2H3,(H,17,18)