2-[4-[2-[2-Hydroxy-1-[[(4-Sulfo-1-Naphthalenyl)Amino]Carbonyl]Propyl]Diazenyl]Sulfophenyl]-6-Methyl-7-Benzothiazolesulfonicacid Sodium Salt (1:3)
[CAS# 68966-85-8]

Identification

• Name: 2-[4-[2-[2-Hydroxy-1-[[(4-Sulfo-1-Naphthalenyl)Amino]Carbonyl]Propyl]Diazenyl]Sulfophenyl]-6-Methyl-7-Benzothiazolesulfonicacid Sodium Salt (1:3)
• Synonyms: Trisodium 2-[4-[2-Hydroxy-1-[(4-Sulfonato-1-Naphthyl)Carbamoyl]Propyl]Azo-2-Sulfonato-Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Trisodium 2-[4-[2-Hydroxy-1-[Oxo-[(4-Sulfonato-1-Naphthyl)Amino]Methyl]Propyl]Azo-2-Sulfonatophenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate; Trisodium 2-[4-[3-Hydroxy-1-Oxo-1-[(4-Sulfonatonaphthalen-1-Yl)Amino]Butan-2-Yl]Diazenyl-2-Sulfonato-Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonate
• Molecular Formula: C₂₈H₂₁N₄Na₃O₁₁S₄
• Molecular Weight: 786.70
• CAS Registry Number: 68966-85-8
• EINECS: 273-452-1
• SMILES: C2=C1N=C(SC1=C([S]([O-])(=O)=O)C(=C2)C)C5=CC=C(N=NC(C(=O)NC3=C4C(=C([S]([O-])(=O)=O)C=C3)C=CC=C4)C(O)C)C=C5[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C28H24N4O11S4.3Na/c1-14-7-10-21-25(26(14)47(41,42)43)44-28(30-21)19-9-8-16(13-23(19)46(38,39)40)31-32-24(15(2)33)27(34)29-20-11-12-22(45(35,36)37)18-6-4-3-5-17(18)20;;;/h3-13,15,24,33H,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3
• InChIKey: KUEADJMKJSAMSJ-UHFFFAOYSA-K