5,5'-Dicyano-3-(4-Sulfobutyl)-1,1',3'-Triethylimidacarbocyanine betaine
[CAS# 32634-36-9]

Identification

• Name: 5,5'-Dicyano-3-(4-Sulfobutyl)-1,1',3'-Triethylimidacarbocyanine betaine
• Synonyms: 5-CYANO-2-[3-(5-CYANO-1,3-DIETHYL-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-YLIDENE)-1-PROPENYL]-1-ETHYL-3-(4-SULFOBUTYL)-1H-BENZIMIDAZOLIUM HYDROXIDE, INNER SALT; 5-Cyano-2-[3-(5-Cyano-1,3-Diethyl-1,3-Dihydro-2H-Benzimidazol-2-Ylidene)-1-Propenyl]-1-Ethyl-3-(4-Sulfobutyl)-1H-Benzimidazolium Hydroxide Inner Salt; CYANOCYANODI-ET-DI-H-BENZIMIDAZOLYLIDENE -PROPENYL-ET-SO3H-BU-BENZIMIDAZOLIUM OH
• Molecular Formula: C₂₉H₃₂N₆O₃S
• Molecular Weight: 544.67
• CAS Registry Number: 32634-36-9
• SMILES: N#Cc1ccc2c(c1)[n+](CCCCS(=O)(=O)[O-])c(n2CC)/C=C/C=c\1/n(CC)c2c(n1CC)ccc(c2)C#N
• 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