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

Systemtic Name: 3-(6-oxidanylidene-3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Openeye Name: 3-[6-oxo-3-(2-thienyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-(6-oxo-3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid IUPAC Name: 3-(6-oxo-3-thiophen-2-yl-4,5-dihydro-1H-pyridazin-2-ium-2-yl)benzoic acid Traditional Name: 3-[6-keto-3-(2-thienyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C15H13N2O3S+ MolecularWeight: 301.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N[N+](=C1C2=CC=CS2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(=O)N[N+](=C1C2=CC=CS2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C15H12N2O3S/c18-14-7-6-12(13-5-2-8-21-13)17(16-14)11-4-1-3-10(9-11)15(19)20/h1-5,8-9H,6-7H2,(H-,16,18,19,20)/p+1