2-azanyl-5-(5-chloranyl-4-fluoranyl-6-oxidanylidene-pyridazin-1-yl)benzenesulfonic acid

Systemtic Name: 2-azanyl-5-(5-chloranyl-4-fluoranyl-6-oxidanylidene-pyridazin-1-yl)benzenesulfonic acid Openeye Name: 2-amino-5-(5-chloro-4-fluoro-6-oxo-pyridazin-1-yl)benzenesulfonic acid CAS Name: 2-amino-5-(5-chloro-4-fluoro-6-oxo-1-pyridazinyl)benzenesulfonic acid IUPAC Name: 2-amino-5-(5-chloro-4-fluoro-6-oxopyridazin-1-yl)benzenesulfonic acid Traditional Name: 2-amino-5-(5-chloro-4-fluoro-6-keto-pyridazin-1-yl)besylic acid Formula: C10H7ClFN3O4S MolecularWeight: 319.696683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)F)Cl)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1N2C(=O)C(=C(C=N2)F)Cl)S(=O)(=O)O)N

InChI

InChI=1S/C10H7ClFN3O4S/c11-9-6(12)4-14-15(10(9)16)5-1-2-7(13)8(3-5)20(17,18)19/h1-4H,13H2,(H,17,18,19)