3-methylsulfonyl-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-methylsulfonyl-5-(trifluoromethyl)benzoic acid Openeye Name: 3-methylsulfonyl-5-(trifluoromethyl)benzoic acid CAS Name: 3-methylsulfonyl-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-methylsulfonyl-5-(trifluoromethyl)benzoic acid Traditional Name: 3-mesyl-5-(trifluoromethyl)benzoic acid Formula: C9H7F3O4S MolecularWeight: 268.20969

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C9H7F3O4S/c1-17(15,16)7-3-5(8(13)14)2-6(4-7)9(10,11)12/h2-4H,1H3,(H,13,14)