Tripotassium 2,5-Bis[4-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzamido]Benzenesulphonate
[CAS# 67875-09-6]

Identification

• Name: Tripotassium 2,5-Bis[4-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Azo]Benzamido]Benzenesulphonate
• Synonyms: Tripotassium 2,5-Bis[[4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoyl]Amino]Benzenesulfonate; Tripotassium 2,5-Bis[[[4-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Phenyl]-Oxomethyl]Amino]Benzenesulfonate; Tripotassium 2,5-Bis[[4-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzoyl]Amino]Benzenesulfonate
• Molecular Formula: C₄₀H₂₉K₃N₁₀O₁₃S₃
• Molecular Weight: 1071.20
• CAS Registry Number: 67875-09-6
• EINECS: 267-523-6
• SMILES: N6(N=C(C(N=NC5=CC=C(C(=O)NC4=CC=C(NC(=O)C3=CC=C(N=NC1C(=O)N(N=C1C)C2=CC=C([S]([O-])(=O)=O)C=C2)C=C3)C=C4[S]([O-])(=O)=O)C=C5)C6=O)C)C7=CC=C([S]([O-])(=O)=O)C=C7.[K+].[K+].[K+]
• InChI: 1S/C40H32N10O13S3.3K/c1-22-35(39(53)49(47-22)29-12-16-31(17-13-29)64(55,56)57)45-43-26-7-3-24(4-8-26)37(51)41-28-11-20-33(34(21-28)66(61,62)63)42-38(52)25-5-9-27(10-6-25)44-46-36-23(2)48-50(40(36)54)30-14-18-32(19-15-30)65(58,59)60;;;/h3-21,35-36H,1-2H3,(H,41,51)(H,42,52)(H,55,56,57)(H,58,59,60)(H,61,62,63);;;/q;3*+1/p-3
• InChIKey: OPLVQYDZWCACHA-UHFFFAOYSA-K