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

Systemtic Name: 2-chloranyl-4-fluoranyl-5-[6-oxidanylidene-4,5-bis(trifluoromethyl)pyridazin-1-yl]benzoic acid Openeye Name: 2-chloro-4-fluoro-5-[6-oxo-4,5-bis(trifluoromethyl)pyridazin-1-yl]benzoic acid CAS Name: 2-chloro-4-fluoro-5-[6-oxo-4,5-bis(trifluoromethyl)-1-pyridazinyl]benzoic acid IUPAC Name: 2-chloro-4-fluoro-5-[6-oxo-4,5-bis(trifluoromethyl)pyridazin-1-yl]benzoic acid Traditional Name: 2-chloro-4-fluoro-5-[6-keto-4,5-bis(trifluoromethyl)pyridazin-1-yl]benzoic acid Formula: C13H4ClF7N2O3 MolecularWeight: 404.624282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1N2C(=O)C(=C(C=N2)C(F)(F)F)C(F)(F)F)F)Cl)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1N2C(=O)C(=C(C=N2)C(F)(F)F)C(F)(F)F)F)Cl)C(=O)O

InChI

InChI=1S/C13H4ClF7N2O3/c14-6-2-7(15)8(1-4(6)11(25)26)23-10(24)9(13(19,20)21)5(3-22-23)12(16,17)18/h1-3H,(H,25,26)