dipotassium 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfinato-benzenesulfonate

Systemtic Name: dipotassium 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfinato-benzenesulfonate Openeye Name: dipotassium 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfinato-benzenesulfonate CAS Name: dipotassium 3-[3-methyl-5-(methylsulfamoyl)-1-pyrazolyl]-4-sulfinatobenzenesulfonate IUPAC Name: dipotassium 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfinatobenzenesulfonate Traditional Name: dipotassium 3-[3-methyl-5-(methylsulfamoyl)pyrazol-1-yl]-4-sulfinato-besylate Formula: C11H11K2N3O7S3 MolecularWeight: 471.61254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O7S3.2K/c1-7-5-11(23(17,18)12-2)14(13-7)9-6-8(24(19,20)21)3-4-10(9)22(15)16;;/h3-6,12H,1-2H3,(H,15,16)(H,19,20,21);;/q;2*+1/p-2