2-[(4-chloranyl-3-oxidanylidene-2-phenyl-4H-pyridazin-2-ium-5-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(4-chloranyl-3-oxidanylidene-2-phenyl-4H-pyridazin-2-ium-5-yl)sulfanyl]propanoic acid Openeye Name: 2-[(4-chloro-3-oxo-2-phenyl-4H-pyridazin-2-ium-5-yl)sulfanyl]propanoic acid CAS Name: 2-[(4-chloro-3-oxo-2-phenyl-4H-pyridazin-2-ium-5-yl)thio]propanoic acid IUPAC Name: 2-[(4-chloro-3-oxo-2-phenyl-4H-pyridazin-2-ium-5-yl)sulfanyl]propanoic acid Traditional Name: 2-[(4-chloro-3-keto-2-phenyl-4H-pyridazin-2-ium-5-yl)thio]propionic acid Formula: C13H12ClN2O3S+ MolecularWeight: 311.76398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CN=[N+](C(=O)C1Cl)C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)O)SC1=CN=[N+](C(=O)C1Cl)C2=CC=CC=C2

InChI

InChI=1S/C13H11ClN2O3S/c1-8(13(18)19)20-10-7-15-16(12(17)11(10)14)9-5-3-2-4-6-9/h2-8,11H,1H3/p+1