sodium 6-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3-olate

Systemtic Name: sodium 6-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3-olate Openeye Name: sodium 6-(5-chloro-3-methyl-benzofuran-2-yl)sulfonylpyridazin-3-olate CAS Name: sodium 6-[(5-chloro-3-methyl-2-benzofuranyl)sulfonyl]-3-pyridazinolate IUPAC Name: sodium 6-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl]pyridazin-3-olate Traditional Name: sodium 6-(5-chloro-3-methyl-benzofuran-2-yl)sulfonylpyridazin-3-olate Formula: C13H8ClN2NaO4S MolecularWeight: 346.72139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NN=C(C=C3)[O-].[Na+]

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)S(=O)(=O)C3=NN=C(C=C3)[O-].[Na+]

InChI

InChI=1S/C13H9ClN2O4S.Na/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12;/h2-6H,1H3,(H,15,17);/q;+1/p-1