Disodium 4-Chloro-3-[3-Methyl-5-Oxo-4-[3-[[2-Sulfonato-4-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Phenyl]Carbamoyl]Phenyl]Diazenyl-4H-Pyrazol-1-Yl]Benzenesulfonate
[CAS# 74186-18-8]

Identification

• Name: Disodium 4-Chloro-3-[3-Methyl-5-Oxo-4-[3-[[2-Sulfonato-4-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Phenyl]Carbamoyl]Phenyl]Diazenyl-4H-Pyrazol-1-Yl]Benzenesulfonate
• Synonyms: Disodium 4-Chloro-3-[3-Methyl-5-Oxo-4-[3-[[2-Sulfonato-4-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Phenyl]Carbamoyl]Phenyl]Azo-4H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 4-Chloro-3-[3-Methyl-5-Oxo-4-[3-[Oxo-[[2-Sulfonato-4-[4-[(2,5,6-Trichloro-4-Pyrimidinyl)Amino]Phenyl]Phenyl]Amino]Methyl]Phenyl]Azo-4H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 4-Chloro-3-[5-Keto-3-Methyl-4-[3-[[2-Sulfonato-4-[4-[(2,5,6-Trichloropyrimidin-4-Yl)Amino]Phenyl]Phenyl]Carbamoyl]Phenyl]Azo-4H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₃₃H₂₀Cl₄N₈Na₂O₈S₂
• Molecular Weight: 908.48
• CAS Registry Number: 74186-18-8
• EINECS: 277-754-4
• SMILES: C6=C(N5N=C(C(N=NC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2[S]([O-])(=O)=O)C4=CC=C(NC3=NC(=NC(=C3Cl)Cl)Cl)C=C4)C5=O)C)C(=CC=C6[S]([O-])(=O)=O)Cl.[Na+].[Na+]
• InChI: 1S/C33H22Cl4N8O8S2.2Na/c1-16-28(32(47)45(44-16)25-15-22(54(48,49)50)10-11-23(25)34)43-42-21-4-2-3-19(13-21)31(46)39-24-12-7-18(14-26(24)55(51,52)53)17-5-8-20(9-6-17)38-30-27(35)29(36)40-33(37)41-30;;/h2-15,28H,1H3,(H,39,46)(H,38,40,41)(H,48,49,50)(H,51,52,53);;/q;2*+1/p-2
• InChIKey: KKZFYAXJSKXATG-UHFFFAOYSA-L