3-[3-(4-iodophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid

Systemtic Name: 3-[3-(4-iodophenyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[3-(4-iodophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-(4-iodophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[3-(4-iodophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[3-(4-iodophenyl)-6-keto-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C17H14IN2O3+ MolecularWeight: 421.20913

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N[N+](=C1C2=CC=C(C=C2)I)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(=O)N[N+](=C1C2=CC=C(C=C2)I)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H13IN2O3/c18-13-6-4-11(5-7-13)15-8-9-16(21)19-20(15)14-3-1-2-12(10-14)17(22)23/h1-7,10H,8-9H2,(H-,19,21,22,23)/p+1