Tetrasodium 2-[[8-[[4-[(4-Chlorophenyl)Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
[CAS# 70833-54-4]

Identification

• Name: Tetrasodium 2-[[8-[[4-[(4-Chlorophenyl)Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]-1-Hydroxy-3,6-Disulphonato-2-Naphthyl]Azo]Naphthalene-1,5-Disulphonate
• Synonyms: Tetrasodium (3Z)-5-[[4-[(4-Chlorophenyl)Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]-3-[(1,5-Disulfonato-2-Naphthyl)Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Tetrasodium (3Z)-5-[[4-[(4-Chlorophenyl)Amino]-6-Fluoro-1,3,5-Triazin-2-Yl]Amino]-3-[(1,5-Disulfonato-2-Naphthyl)Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Tetrasodium (3Z)-5-[[4-[(4-Chlorophenyl)Amino]-6-Fluoro-S-Triazin-2-Yl]Amino]-3-[(1,5-Disulfonato-2-Naphthyl)Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₉H₁₅ClFN₇Na₄O₁₃S₄
• Molecular Weight: 944.13
• CAS Registry Number: 70833-54-4
• EINECS: 274-921-3
• SMILES: C3=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=N1)NC2=CC=C(Cl)C=C2)F)C6=C3C=C([S]([O-])(=O)=O)\C(=N/NC5=C([S]([O-])(=O)=O)C4=C(C(=CC=C4)[S]([O-])(=O)=O)C=C5)C6=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C29H19ClFN7O13S4.4Na/c30-14-4-6-15(7-5-14)32-28-34-27(31)35-29(36-28)33-20-12-16(52(40,41)42)10-13-11-22(54(46,47)48)24(25(39)23(13)20)38-37-19-9-8-17-18(26(19)55(49,50)51)2-1-3-21(17)53(43,44)45;;;;/h1-12,37H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,32,33,34,35,36);;;;/q;4*+1/p-4/b38-24+
• InChIKey: MPLWLLUJSSRGCK-AOGSTKAMSA-J