sodium 4-[[3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]diazenyl]benzenesulfonate

Systemtic Name: sodium 4-[[3-(4-nitrophenyl)-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Openeye Name: sodium 4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]azo]benzenesulfonate CAS Name: sodium 4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]azo]benzenesulfonate IUPAC Name: sodium 4-[[3-(4-nitrophenyl)-5-oxo-1-phenyl-4H-pyrazol-4-yl]diazenyl]benzenesulfonate Traditional Name: sodium 4-[[5-keto-3-(4-nitrophenyl)-1-phenyl-2-pyrazolin-4-yl]azo]besylate Formula: C21H14N5NaO6S MolecularWeight: 487.42053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=NC4=CC=C(C=C4)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H15N5O6S.Na/c27-21-20(23-22-15-8-12-18(13-9-15)33(30,31)32)19(14-6-10-17(11-7-14)26(28)29)24-25(21)16-4-2-1-3-5-16;/h1-13,20H,(H,30,31,32);/q;+1/p-1