5-methylsulfonyl-4-pyridin-3-yloxy-2-(trifluoromethyl)benzoic acid

Systemtic Name: 5-methylsulfonyl-4-pyridin-3-yloxy-2-(trifluoromethyl)benzoic acid Openeye Name: 5-methylsulfonyl-4-(3-pyridyloxy)-2-(trifluoromethyl)benzoic acid CAS Name: 5-methylsulfonyl-4-(3-pyridinyloxy)-2-(trifluoromethyl)benzoic acid IUPAC Name: 5-methylsulfonyl-4-pyridin-3-yloxy-2-(trifluoromethyl)benzoic acid Traditional Name: 5-mesyl-4-(3-pyridyloxy)-2-(trifluoromethyl)benzoic acid Formula: C14H10F3NO5S MolecularWeight: 361.29311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C(F)(F)F)OC2=CN=CC=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C(F)(F)F)OC2=CN=CC=C2

InChI

InChI=1S/C14H10F3NO5S/c1-24(21,22)12-5-9(13(19)20)10(14(15,16)17)6-11(12)23-8-3-2-4-18-7-8/h2-7H,1H3,(H,19,20)