Reactive Blue 109
[CAS# 61951-76-6]

Identification

• Name: Reactive Blue 109
• Synonyms: Pentasodium (3Z)-5-Amino-3-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-6-(2,5-Disulfonatophenyl)Azo-4-Oxo-Naphthalene-2,7-Disulfonate; Pentasodium (3Z)-5-Amino-3-[[5-[(4,6-Dichloro-1,3,5-Triazin-2-Yl)Amino]-2-Sulfonatophenyl]Hydrazono]-6-(2,5-Disulfonatophenyl)Azo-4-Oxonaphthalene-2,7-Disulfonate; Pentasodium (3Z)-5-Amino-3-[[5-[(4,6-Dichloro-S-Triazin-2-Yl)Amino]-2-Sulfonato-Phenyl]Hydrazono]-6-(2,5-Disulfonatophenyl)Azo-4-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₅H₁₂Cl₂N₉Na₅O₁₆S₅
• Molecular Weight: 1040.58
• CAS Registry Number: 61951-76-6
• SMILES: C1=C5C(=C(N)C(=C1[S]([O-])(=O)=O)N=NC2=C([S]([O-])(=O)=O)C=CC(=C2)[S]([O-])(=O)=O)C(=O)C(=N/NC3=C([S]([O-])(=O)=O)C=CC(=C3)NC4=NC(=NC(=N4)Cl)Cl)/C(=C5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C25H17Cl2N9O16S5.5Na/c26-23-30-24(27)32-25(31-23)29-10-1-3-14(54(41,42)43)12(7-10)33-36-21-17(57(50,51)52)6-9-5-16(56(47,48)49)20(19(28)18(9)22(21)37)35-34-13-8-11(53(38,39)40)2-4-15(13)55(44,45)46;;;;;/h1-8,33H,28H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,29,30,31,32);;;;;/q;5*+1/p-5/b35-34?,36-21+
• InChIKey: HXNFTOKYPSDAJU-WZTFRFCZSA-I