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

Systemtic Name: sodium 3-methyl-4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)benzenesulfonate Openeye Name: sodium 3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate CAS Name: sodium 3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate IUPAC Name: sodium 3-methyl-4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonate Traditional Name: sodium 4-(5-keto-3-methyl-2-pyrazolin-1-yl)-3-methyl-besylate Formula: C11H11N2NaO4S MolecularWeight: 290.27081

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4S.Na/c1-7-5-9(18(15,16)17)3-4-10(7)13-11(14)6-8(2)12-13;/h3-5H,6H2,1-2H3,(H,15,16,17);/q;+1/p-1