6-Cyano-2-[3-(5-Cyano-1,3-Diethyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene)-1-Propen-1-Yl]-1-Ethyl-3-(4-Sulfobutyl)-1H-Benzimidazolium Inner Salt
[CAS# 109025-88-9]

Identification

• Name: 6-Cyano-2-[3-(5-Cyano-1,3-Diethyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene)-1-Propen-1-Yl]-1-Ethyl-3-(4-Sulfobutyl)-1H-Benzimidazolium Inner Salt
• Synonyms: 1,3-DIETHYL-2-(3-(1-ETHYL-3-W-SULFOBUTYL-6-CYANO-1,3-BENZIMIDAZOLIN-2-YLIDEN)-PROP-1-EN--YL)-6-CYANO-1,3-BENZIMIDAZOLIUM-BETAINE; 1,1'-DIETHYL-3-ETHYL-3'(SULFOBUTYL)-5,5'-DICYANO-BENZIMIDOTRIMETHINECYANINE-BETAINE
• Molecular Formula: C₂₉H₃₂N₆O₃S
• Molecular Weight: 544.67
• CAS Registry Number: 109025-88-9
• SMILES: N#Cc1ccc2c(c1)n(CCCCS(=O)(=O)[O-])/c(=C\C=C\c1[n+](CC)c3c(n1CC)ccc(c3)C#N)/n2CC
• InChI: 1S/C29H32N6O3S/c1-4-32-24-14-12-22(20-30)18-26(24)34(6-3)28(32)10-9-11-29-33(5-2)25-15-13-23(21-31)19-27(25)35(29)16-7-8-17-39(36,37)38/h9-15,18-19H,4-8,16-17H2,1-3H3