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

Systemtic Name: 4-(3-naphthalen-2-yl-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Openeye Name: 4-[3-(2-naphthyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 4-[3-(2-naphthalenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 4-(3-naphthalen-2-yl-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Traditional Name: 4-[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=C(C=C4)C(=O)O

Isomeric SMILES

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

InChI

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