sodium 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfinate

Systemtic Name: sodium 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfinate Openeye Name: sodium 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfinate CAS Name: sodium 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfinate IUPAC Name: sodium 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfinate Traditional Name: sodium 4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzenesulfinate Formula: C10H9N2NaO3S MolecularWeight: 260.24483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)[O-].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)[O-].[Na+]

InChI

InChI=1S/C10H10N2O3S.Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)16(14)15;/h2-5H,6H2,1H3,(H,14,15);/q;+1/p-1