dipotassium 4-[4-(2,2-dicyanoethenyl)-3-methyl-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate

Systemtic Name: dipotassium 4-[4-(2,2-dicyanoethenyl)-3-methyl-5-oxidanidyl-pyrazol-1-yl]benzenesulfonate Openeye Name: dipotassium 4-[4-(2,2-dicyanovinyl)-3-methyl-5-oxido-pyrazol-1-yl]benzenesulfonate CAS Name: dipotassium 4-[4-(2,2-dicyanoethenyl)-3-methyl-5-oxido-1-pyrazolyl]benzenesulfonate IUPAC Name: dipotassium 4-[4-(2,2-dicyanoethenyl)-3-methyl-5-oxidopyrazol-1-yl]benzenesulfonate Traditional Name: dipotassium 4-[4-(2,2-dicyanovinyl)-3-methyl-5-oxido-pyrazol-1-yl]besylate Formula: C14H8K2N4O4S MolecularWeight: 406.49932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C#N)[O-])C2=CC=C(C=C2)S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

CC1=NN(C(=C1C=C(C#N)C#N)[O-])C2=CC=C(C=C2)S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C14H10N4O4S.2K/c1-9-13(6-10(7-15)8-16)14(19)18(17-9)11-2-4-12(5-3-11)23(20,21)22;;/h2-6,19H,1H3,(H,20,21,22);;/q;2*+1/p-2