5-methylsulfonyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-2-(trifluoromethyl)benzoic acid

Systemtic Name: 5-methylsulfonyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-2-(trifluoromethyl)benzoic acid Openeye Name: 5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-2-(trifluoromethyl)benzoic acid CAS Name: 5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-2-(trifluoromethyl)benzoic acid IUPAC Name: 5-methylsulfonyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-2-(trifluoromethyl)benzoic acid Traditional Name: 4-[(6-keto-1H-pyridazin-3-yl)oxy]-5-mesyl-2-(trifluoromethyl)benzoic acid Formula: C13H9F3N2O6S MolecularWeight: 378.28057

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C(F)(F)F)OC2=NNC(=O)C=C2

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)O)C(F)(F)F)OC2=NNC(=O)C=C2

InChI

InChI=1S/C13H9F3N2O6S/c1-25(22,23)9-4-6(12(20)21)7(13(14,15)16)5-8(9)24-11-3-2-10(19)17-18-11/h2-5H,1H3,(H,17,19)(H,20,21)