disodium 3-[(4E)-3-cyano-4-[[5-isocyano-2-(3-oxidanidylperoxysulfanylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate

Systemtic Name: disodium 3-[(4E)-3-cyano-4-[[5-isocyano-2-(3-oxidanidylperoxysulfanylphenyl)-3-oxidanylidene-1H-pyrazol-4-yl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzenesulfonate Openeye Name: disodium 3-[(4E)-3-cyano-4-[[5-isocyano-2-(3-oxidoperoxysulfanylphenyl)-3-oxo-1H-pyrazol-4-yl]methylene]-5-oxo-pyrazol-1-yl]benzenesulfonate CAS Name: disodium 3-[(4E)-3-cyano-4-[[5-isocyano-2-[3-(oxidodioxythio)phenyl]-3-oxo-1H-pyrazol-4-yl]methylidene]-5-oxo-1-pyrazolyl]benzenesulfonate IUPAC Name: disodium 3-[(4E)-3-cyano-4-[[5-isocyano-2-(3-oxidoperoxysulfanylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]-5-oxopyrazol-1-yl]benzenesulfonate Traditional Name: disodium 3-[(4E)-3-cyano-4-[[3-isocyano-5-keto-1-[3-(oxidoperoxythio)phenyl]-3-pyrazolin-4-yl]methylene]-5-keto-2-pyrazolin-1-yl]besylate Formula: C21H10N6Na2O8S2 MolecularWeight: 584.44904

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(C(=O)N(N1)C2=CC(=CC=C2)SOO[O-])C=C3C(=NN(C3=O)C4=CC(=CC=C4)S(=O)(=O)[O-])C#N.[Na+].[Na+]

Isomeric SMILES

[C-]#[N+]C1=C(C(=O)N(N1)C2=CC(=CC=C2)SOO[O-])/C=C/3\C(=NN(C3=O)C4=CC(=CC=C4)S(=O)(=O)[O-])C#N.[Na+].[Na+]

InChI

InChI=1S/C21H12N6O8S2.2Na/c1-23-19-17(21(29)27(25-19)12-4-2-6-14(8-12)36-35-34-30)10-16-18(11-22)24-26(20(16)28)13-5-3-7-15(9-13)37(31,32)33;;/h2-10,25,30H,(H,31,32,33);;/q;2*+1/p-2/b16-10+;;