Trisodium 2-{3-methyl-4-[(4-{[4-({2-methyl-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl}diazenyl)benzoyl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-1,4-benzenedisulfonate
[CAS# 89923-45-5]

Identification

• Name: Trisodium 2-{3-methyl-4-[(4-{[4-({2-methyl-4-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl}diazenyl)benzoyl]amino}-2-sulfonatophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-1,4-benzenedisulfonate
• Synonyms: trisodium 2-[4,5-dihydro-3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]benzoyl]amino]-2-sulphonatophenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate
• Molecular Formula: C₃₄H₂₂Cl₃N₁₀Na₃O₁₁S₃
• Molecular Weight: 1018.12
• CAS Registry Number: 89923-45-5
• EINECS: 289-538-7
• SMILES: [Na+].[Na+].[Na+].Clc6c(Cl)nc(Cl)nc6Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc4ccc(N=NC3C(\C)=N/N(c2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)C3=O)c(c4)S([O-])(=O)=O)c(C)c5
• InChI: 1S/C34H25Cl3N10O11S3.3Na/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55;;;/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3
• InChIKey: PMRNHRMWEMZZIP-UHFFFAOYSA-K