Tetrasodium 6-[(6-{[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino}-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1,3,5-naphthalenetrisulfonate
[CAS# 72639-32-8]

Identification

• Name: Tetrasodium 6-[(6-{[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino}-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]-1,3,5-naphthalenetrisulfonate
• Synonyms: 1,3,5-Naphthalenetrisulfonic acid, 6-[[6-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt
• Molecular Formula: C₂₆H₁₆ClN₅Na₄O₁₅S₅
• Molecular Weight: 926.17
• CAS Registry Number: 72639-32-8
• SMILES: Cc1c(c(nc(n1)S(=O)(=O)C)Nc2ccc3c(c2)cc(c(c3O)N=Nc4ccc5c(c4S(=O)(=O)[O-])cc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C26H20ClN5O15S5.4Na/c1-11-21(27)25(30-26(28-11)48(2,34)35)29-13-3-4-15-12(7-13)8-20(51(42,43)44)22(23(15)33)32-31-18-6-5-16-17(24(18)52(45,46)47)9-14(49(36,37)38)10-19(16)50(39,40)41;;;;/h3-10,33H,1-2H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4
• InChIKey: QZVSYUXFYXKOJR-UHFFFAOYSA-J