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

Systemtic Name: 3-(3-naphthalen-2-yl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Openeye Name: 3-[3-(2-naphthyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-(2-naphthalenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-(3-naphthalen-2-yl-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Traditional Name: 3-[6-keto-3-(2-naphthyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C21H17N2O3+ MolecularWeight: 345.37128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N[N+](=C1C2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(=O)N[N+](=C1C2=CC3=CC=CC=C3C=C2)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H16N2O3/c24-20-11-10-19(16-9-8-14-4-1-2-5-15(14)12-16)23(22-20)18-7-3-6-17(13-18)21(25)26/h1-9,12-13H,10-11H2,(H-,22,24,25,26)/p+1