2-[(4-Chloro-6-Methoxy-1,3,5-Triazin-2-Yl)Amino]-5-[2-[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulfophenyl)-1H-Pyrazol-4-Yl]Diazenyl]-1,4-Benzenedisulfonicacid Lithium Salt (1:3)
[CAS# 84051-91-2]

Identification

• Name: 2-[(4-Chloro-6-Methoxy-1,3,5-Triazin-2-Yl)Amino]-5-[2-[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulfophenyl)-1H-Pyrazol-4-Yl]Diazenyl]-1,4-Benzenedisulfonicacid Lithium Salt (1:3)
• Synonyms: Trilithium 2-[(4-Chloro-6-Methoxy-1,3,5-Triazin-2-Yl)Amino]-5-[[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzene-1,4-Disulfonate; Trilithium 2-[(4-Chloro-6-Methoxy-S-Triazin-2-Yl)Amino]-5-[[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)-4H-Pyrazol-4-Yl]Azo]Benzene-1,4-Disulfonate
• Molecular Formula: C₂₀H₁₄ClLi₃N₈O₁₁S₃
• Molecular Weight: 694.83
• CAS Registry Number: 84051-91-2
• EINECS: 281-881-0
• SMILES: C3=C(N=NC1C(=O)N(N=C1C)C2=CC=C([S]([O-])(=O)=O)C=C2)C(=CC(=C3[S]([O-])(=O)=O)NC4=NC(=NC(=N4)Cl)OC)[S]([O-])(=O)=O.[Li+].[Li+].[Li+]
• InChI: 1S/C20H17ClN8O11S3.3Li/c1-9-16(17(30)29(28-9)10-3-5-11(6-4-10)41(31,32)33)27-26-13-8-14(42(34,35)36)12(7-15(13)43(37,38)39)22-19-23-18(21)24-20(25-19)40-2;;;/h3-8,16H,1-2H3,(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,22,23,24,25);;;/q;3*+1/p-3
• InChIKey: GHAVRZBRBRRZFK-UHFFFAOYSA-K