2-[[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphomethyl)-3-Pyridyl]Azo]-5-[[4-Fluoro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulphonic Acid
[CAS# 85508-11-8]

Identification

• Name: 2-[[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphomethyl)-3-Pyridyl]Azo]-5-[[4-Fluoro-6-[(3-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulphonic Acid
• Synonyms: 2-[(N'z)-N'-[1-Ethyl-4-Methyl-2,6-Dioxo-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]-5-[[4-Fluoro-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonic Acid; 2-[(N'z)-N'-[1-Ethyl-2,6-Diketo-4-Methyl-5-(Sulfomethyl)-3-Pyridylidene]Hydrazino]-5-[[4-Fluoro-6-[(3-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonic Acid; 2-((1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphomethyl)-3-Pyridyl)Azo)-5-((4-Fluoro-6-((3-Sulphophenyl)Amino)-1,3,5-Triazin-2-Yl)Amino)Benzene-1,4-Disulphonic Acid
• Molecular Formula: C₂₄H₂₃FN₈O₁₄S₄
• Molecular Weight: 794.73
• CAS Registry Number: 85508-11-8
• EINECS: 287-435-1
• SMILES: C1=C([S](O)(=O)=O)C(=CC(=C1N\N=C2\C(=C(C[S](O)(=O)=O)C(=O)N(C2=O)CC)C)[S](O)(=O)=O)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)[S](O)(=O)=O)F
• InChI: 1S/C24H23FN8O14S4/c1-3-33-20(34)14(10-48(36,37)38)11(2)19(21(33)35)32-31-16-9-17(50(42,43)44)15(8-18(16)51(45,46)47)27-24-29-22(25)28-23(30-24)26-12-5-4-6-13(7-12)49(39,40)41/h4-9,31H,3,10H2,1-2H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,26,27,28,29,30)/b32-19-
• InChIKey: WYPDYUKSRSZGJP-MZFJOGFUSA-N

Properties

• Density: 1.924g/cm³ (Cal.)