2-[3-[2,5-bis(chloranyl)phenyl]-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[3-[2,5-bis(chloranyl)phenyl]-6-oxidanylidene-3H-pyridazin-1-ium-1-yl]propanoic acid Openeye Name: 2-[3-(2,5-dichlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid CAS Name: 2-[3-(2,5-dichlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid IUPAC Name: 2-[3-(2,5-dichlorophenyl)-6-oxo-3H-pyridazin-1-ium-1-yl]propanoic acid Traditional Name: 2-[3-(2,5-dichlorophenyl)-6-keto-3H-pyridazin-1-ium-1-yl]propionic acid Formula: C13H11Cl2N2O3+ MolecularWeight: 314.14404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=NC(C=CC1=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CC(C(=O)O)[N+]1=NC(C=CC1=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2N2O3/c1-7(13(19)20)17-12(18)5-4-11(16-17)9-6-8(14)2-3-10(9)15/h2-7,11H,1H3/p+1