Trisodium 4,5-Dihydro-5-Oxo-4-[[4-[[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]Carbonyl]Phenyl]Azo]-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 72187-36-1]

Identification

• Name: Trisodium 4,5-Dihydro-5-Oxo-4-[[4-[[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Phenyl]Amino]Carbonyl]Phenyl]Azo]-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
• Synonyms: Trisodium 5-Oxo-4-[4-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Carbamoyl]Phenyl]Azo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 5-Oxo-4-[4-[Oxo-[[3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Amino]Methyl]Phenyl]Azo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate; Trisodium 5-Keto-4-[4-[[3-(2-Sulfatoethylsulfonyl)Phenyl]Carbamoyl]Phenyl]Azo-1-(4-Sulfonatophenyl)-4H-Pyrazole-3-Carboxylate
• Molecular Formula: C₂₅H₁₈N₅Na₃O₁₃S₃
• Molecular Weight: 761.59
• CAS Registry Number: 72187-36-1
• EINECS: 276-449-3
• SMILES: C4=C(N3N=C(C(N=NC2=CC=C(C(=O)NC1=CC=CC(=C1)[S](=O)(=O)CCO[S]([O-])(=O)=O)C=C2)C3=O)C([O-])=O)C=CC(=C4)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C25H21N5O13S3.3Na/c31-23(26-17-2-1-3-20(14-17)44(35,36)13-12-43-46(40,41)42)15-4-6-16(7-5-15)27-28-21-22(25(33)34)29-30(24(21)32)18-8-10-19(11-9-18)45(37,38)39;;;/h1-11,14,21H,12-13H2,(H,26,31)(H,33,34)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3
• InChIKey: IRHIDTCUFKGJPA-UHFFFAOYSA-K