5-iodanyl-6-oxidanyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid

Systemtic Name: 5-iodanyl-6-oxidanyl-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Openeye Name: 6-hydroxy-5-iodo-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid CAS Name: 6-hydroxy-5-iodo-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxylic acid IUPAC Name: 6-hydroxy-5-iodo-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Traditional Name: 6-hydroxy-5-iodo-4-keto-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid Formula: C12H6F3IN2O4 MolecularWeight: 426.08672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C(=O)C(=N2)C(=O)O)I)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C(=O)C(=N2)C(=O)O)I)O)C(F)(F)F

InChI

InChI=1S/C12H6F3IN2O4/c13-12(14,15)5-2-1-3-6(4-5)18-10(20)7(16)9(19)8(17-18)11(21)22/h1-4,20H,(H,21,22)