Trisodium 5-{[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino}-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]-2,7-naphthalenedisulfonate
[CAS# 72894-26-9]

Identification

• Name: Trisodium 5-{[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino}-4-hydroxy-3-[(1-sulfonato-2-naphthyl)diazenyl]-2,7-naphthalenedisulfonate
• Synonyms: 2,7-Naphthalenedisulfonic acid, 5-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(1-sulfo-2-naphthalenyl)azo]-, trisodium salt
• Molecular Formula: C₂₆H₁₇ClN₅Na₃O₁₂S₄
• Molecular Weight: 824.12
• CAS Registry Number: 72894-26-9
• SMILES: Cc1c(c(nc(n1)S(=O)(=O)C)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)[O-])N=Nc4ccc5ccccc5c4S(=O)(=O)[O-])O)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]
• InChI: 1S/C26H20ClN5O12S4.3Na/c1-12-21(27)25(30-26(28-12)45(2,34)35)29-18-11-15(46(36,37)38)9-14-10-19(47(39,40)41)22(23(33)20(14)18)32-31-17-8-7-13-5-3-4-6-16(13)24(17)48(42,43)44;;;/h3-11,33H,1-2H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;/q;3*+1/p-3
• InChIKey: VZAHJXYYHHOXRZ-UHFFFAOYSA-K