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

Systemtic Name: 2-(2-chlorophenyl)sulfanyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-(2-chlorophenyl)sulfanyl-5-methylsulfonyl-benzoic acid CAS Name: 2-[(2-chlorophenyl)thio]-5-methylsulfonylbenzoic acid IUPAC Name: 2-(2-chlorophenyl)sulfanyl-5-methylsulfonylbenzoic acid Traditional Name: 2-[(2-chlorophenyl)thio]-5-mesyl-benzoic acid Formula: C14H11ClO4S2 MolecularWeight: 342.81774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)SC2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C14H11ClO4S2/c1-21(18,19)9-6-7-12(10(8-9)14(16)17)20-13-5-3-2-4-11(13)15/h2-8H,1H3,(H,16,17)