2-[[4-Chloro-6-[[3-[2-[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulfophenyl)-1H-Pyrazol-4-Yl]Diazenyl]-4-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-1,4-Benzenedisulfonicacid Sodium Salt (1:4)
[CAS# 94042-73-6]

Identification

• Name: 2-[[4-Chloro-6-[[3-[2-[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulfophenyl)-1H-Pyrazol-4-Yl]Diazenyl]-4-Sulfophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]-1,4-Benzenedisulfonicacid Sodium Salt (1:4)
• Synonyms: Tetrasodium 2-[[4-Chloro-6-[[3-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-4-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Tetrasodium 2-[[4-Chloro-6-[[3-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-4-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Tetrasodium 2-[[4-Chloro-6-[[3-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]-4-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
• Molecular Formula: C₂₅H₁₆ClN₉Na₄O₁₃S₄
• Molecular Weight: 906.11
• CAS Registry Number: 94042-73-6
• EINECS: 301-738-9
• SMILES: C1=C([S]([O-])(=O)=O)C=CC(=C1NC2=NC(=NC(=N2)Cl)NC3=CC(=C([S]([O-])(=O)=O)C=C3)N=NC4C(=O)N(N=C4C)C5=CC=C([S]([O-])(=O)=O)C=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C25H20ClN9O13S4.4Na/c1-12-21(22(36)35(34-12)14-3-5-15(6-4-14)49(37,38)39)33-32-18-10-13(2-8-20(18)52(46,47)48)27-24-29-23(26)30-25(31-24)28-17-11-16(50(40,41)42)7-9-19(17)51(43,44)45;;;;/h2-11,21H,1H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,27,28,29,30,31);;;;/q;4*+1/p-4
• InChIKey: OHBPQSSYDJUTSH-UHFFFAOYSA-J