3-chloranyl-2-methylsulfanyl-4-(trifluoromethyl)benzoic acid

Systemtic Name: 3-chloranyl-2-methylsulfanyl-4-(trifluoromethyl)benzoic acid Openeye Name: 3-chloro-2-methylsulfanyl-4-(trifluoromethyl)benzoic acid CAS Name: 3-chloro-2-(methylthio)-4-(trifluoromethyl)benzoic acid IUPAC Name: 3-chloro-2-methylsulfanyl-4-(trifluoromethyl)benzoic acid Traditional Name: 3-chloro-2-(methylthio)-4-(trifluoromethyl)benzoic acid Formula: C9H6ClF3O2S MolecularWeight: 270.65595

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

CSC1=C(C=CC(=C1Cl)C(F)(F)F)C(=O)O

InChI

InChI=1S/C9H6ClF3O2S/c1-16-7-4(8(14)15)2-3-5(6(7)10)9(11,12)13/h2-3H,1H3,(H,14,15)