4-chloranyl-2-methylsulfonyl-3-phenylsulfanyl-benzoic acid

Systemtic Name: 4-chloranyl-2-methylsulfonyl-3-phenylsulfanyl-benzoic acid Openeye Name: 4-chloro-2-methylsulfonyl-3-phenylsulfanyl-benzoic acid CAS Name: 4-chloro-2-methylsulfonyl-3-(phenylthio)benzoic acid IUPAC Name: 4-chloro-2-methylsulfonyl-3-phenylsulfanylbenzoic acid Traditional Name: 4-chloro-2-mesyl-3-(phenylthio)benzoic acid Formula: C14H11ClO4S2 MolecularWeight: 342.81774

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1SC2=CC=CC=C2)Cl)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1SC2=CC=CC=C2)Cl)C(=O)O

InChI

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