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

Systemtic Name: 4-(2-chlorophenyl)sulfanyl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-(2-chlorophenyl)sulfanyl-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-[(2-chlorophenyl)thio]-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-(2-chlorophenyl)sulfanyl-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-[(2-chlorophenyl)thio]-5-mesyl-2-methyl-benzoic acid Formula: C15H13ClO4S2 MolecularWeight: 356.84432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC2=CC=CC=C2Cl

InChI

InChI=1S/C15H13ClO4S2/c1-9-7-13(21-12-6-4-3-5-11(12)16)14(22(2,19)20)8-10(9)15(17)18/h3-8H,1-2H3,(H,17,18)