1-Methyl-3-Sulfopropyl-5-Trifluoromethyl-2-(3-(1-Methyl-3-Sulfopropyl-5-Trifluoromethyl Benzimidazolinylidene)-1-Propenyl) Benzimidazolium Hydroxide, Inner Salt, Sodium Salt
[CAS 63815-86-1]

Identification

• Name: 1-Methyl-3-Sulfopropyl-5-Trifluoromethyl-2-(3-(1-Methyl-3-Sulfopropyl-5-Trifluoromethyl Benzimidazolinylidene)-1-Propenyl) Benzimidazolium Hydroxide, Inner Salt, Sodium Salt
• Synonyms: Sodium 3-[3-Methyl-2-[3-[1-Methyl-3-(3-Sulfonatopropyl)-5-(Trifluoromethyl)-2-Benzimidazolylidene]Prop-1-Enyl]-6-(Trifluoromethyl)-1-Benzimidazol-3-Iumyl]Propane-1-Sulfonate; 1H-Benzimidazolium, 2-(3-(1,3-Dihydro-1-Methyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)-1-Propenyl)-1-Methyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-, Hydroxide, Inner Salt, Sodium Salt; 1H-Benzimidazolium, 2-(3-(1,3-Dihydro-1-Methyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)-1-Propenyl)-1-Methyl-3-(3-Sulfopropyl)-5-(Trifluoromethyl)-, Inner Salt, Sodium Salt
• Molecular Formula: C₂₇H₂₇F₆N₄NaO₆S₂
• Molecular Weight: 704.63
• CAS Registry Number: 63815-86-1
• EINECS: 264-480-5
• SMILES: C1=C(C(F)(F)F)C=CC4=C1N(\C(=C\C=CC2=[N+](C3=C([N]2C)C=CC(=C3)C(F)(F)F)CCC[S](=O)(=O)[O-])N4C)CCC[S](=O)(=O)[O-].[Na+]
• InChI: 1S/C27H28F6N4O6S2.Na/c1-34-20-10-8-18(26(28,29)30)16-22(20)36(12-4-14-44(38,39)40)24(34)6-3-7-25-35(2)21-11-9-19(27(31,32)33)17-23(21)37(25)13-5-15-45(41,42)43;/h3,6-11,16-17H,4-5,12-15H2,1-2H3,(H-,38,39,40,41,42,43);/q;+1/p-1
• InChIKey: IUNMFJCYRMCJST-UHFFFAOYSA-M