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

Systemtic Name: 3-[3-(5-methylthiophen-2-yl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Openeye Name: 3-[3-(5-methyl-2-thienyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid CAS Name: 3-[3-(5-methyl-2-thiophenyl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid IUPAC Name: 3-[3-(5-methylthiophen-2-yl)-6-oxo-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Traditional Name: 3-[6-keto-3-(5-methyl-2-thienyl)-4,5-dihydro-1H-pyridazin-2-ium-2-yl]benzoic acid Formula: C16H15N2O3S+ MolecularWeight: 315.3669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(S1)C2=[N+](NC(=O)CC2)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H14N2O3S/c1-10-5-7-14(22-10)13-6-8-15(19)17-18(13)12-4-2-3-11(9-12)16(20)21/h2-5,7,9H,6,8H2,1H3,(H-,17,19,20,21)/p+1