2-chloranyl-5-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid

Systemtic Name: 2-chloranyl-5-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid Openeye Name: 2-chloro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid CAS Name: 2-chloro-5-[5-methyl-6-oxo-4-(trifluoromethyl)-1-pyridazinyl]benzoic acid IUPAC Name: 2-chloro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid Traditional Name: 2-chloro-5-[6-keto-5-methyl-4-(trifluoromethyl)pyridazin-1-yl]benzoic acid Formula: C13H8ClF3N2O3 MolecularWeight: 332.66243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)O)C(F)(F)F

InChI

InChI=1S/C13H8ClF3N2O3/c1-6-9(13(15,16)17)5-18-19(11(6)20)7-2-3-10(14)8(4-7)12(21)22/h2-5H,1H3,(H,21,22)