3-(5-diazonio-4-isocyano-3-methyl-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonate

Systemtic Name: 3-(5-diazonio-4-isocyano-3-methyl-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonate Openeye Name: 3-(5-diazonio-4-isocyano-3-methyl-pyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonate CAS Name: 3-(5-diazonio-4-isocyano-3-methyl-1-pyrazolyl)-4-(trioxidanylthio)benzenesulfonate IUPAC Name: 3-(5-diazonio-4-isocyano-3-methylpyrazol-1-yl)-4-(trioxidanylsulfanyl)benzenesulfonate Traditional Name: 3-(5-diazonio-4-isocyano-3-methyl-pyrazol-1-yl)-4-(trioxidanylthio)besylate Formula: C11H7N5O6S2 MolecularWeight: 369.33318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+]#[C-])[N+]#N)C2=C(C=CC(=C2)S(=O)(=O)[O-])SOOO

Isomeric SMILES

CC1=NN(C(=C1[N+]#[C-])[N+]#N)C2=C(C=CC(=C2)S(=O)(=O)[O-])SOOO

InChI

InChI=1S/C11H7N5O6S2/c1-6-10(13-2)11(14-12)16(15-6)8-5-7(24(18,19)20)3-4-9(8)23-22-21-17/h3-5H,1H3,(H-,17,18,19,20)