Tetrasodium 2-[[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphonatomethyl)-3-Pyridyl]Azo]-5-[[4-Fluoro-6-[(3-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulphonate
[CAS# 85536-80-7]

Identification

• Name: Tetrasodium 2-[[1-Ethyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-5-(Sulphonatomethyl)-3-Pyridyl]Azo]-5-[[4-Fluoro-6-[(3-Sulphonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulphonate
• Synonyms: Tetrasodium 2-[(N'z)-N'-[1-Ethyl-4-Methyl-2,6-Dioxo-5-(Sulfonatomethyl)-3-Pyridylidene]Hydrazino]-5-[[4-Fluoro-6-[(3-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Tetrasodium 2-[(N'z)-N'-[1-Ethyl-2,6-Diketo-4-Methyl-5-(Sulfonatomethyl)-3-Pyridylidene]Hydrazino]-5-[[4-Fluoro-6-[(3-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
• Molecular Formula: C₂₄H₁₉FN₈Na₄O₁₄S₄
• Molecular Weight: 882.66
• CAS Registry Number: 85536-80-7
• EINECS: 287-566-4
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC(=C1N\N=C2\C(=C(C(=O)N(C2=O)CC)C[S]([O-])(=O)=O)C)[S]([O-])(=O)=O)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)[S]([O-])(=O)=O)F.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C24H23FN8O14S4.4Na/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);;;;/q;4*+1/p-4/b32-19-
• InChIKey: YIZLLYQWUOWKQY-OWRNXVEOSA-J