2-[2-[(5-Bromo-3-Ethyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Chloro-1-(3-Sulphonatopropyl)Quinolinium
[CAS# 52450-03-0]

Identification

• Name: 2-[2-[(5-Bromo-3-Ethyl-3H-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Chloro-1-(3-Sulphonatopropyl)Quinolinium
• Synonyms: 3-[2-[2-[(5-Bromo-3-Ethyl-1,3-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Chloro-Quinolin-1-Ium-1-Yl]Propane-1-Sulfonate; 3-[2-[2-[(5-Bromo-3-Ethyl-1,3-Benzothiazol-2-Ylidene)Methyl]But-1-Enyl]-6-Chloro-1-Quinolin-1-Iumyl]Propane-1-Sulfonate; 2-(2-((5-Bromo-3-Ethyl-3H-Benzothiazol-2-Ylidene)Methyl)But-1-Enyl)-6-Chloro-1-(3-Sulphonatopropyl)Quinolinium
• Molecular Formula: C₂₆H₂₆BrClN₂O₃S₂
• Molecular Weight: 593.98
• CAS Registry Number: 52450-03-0
• EINECS: 257-928-6
• SMILES: C2=C1N(C(SC1=CC=C2Br)=CC(=CC3=CC=C4C(=[N+]3CCC[S]([O-])(=O)=O)C=CC(=C4)Cl)CC)CC
• InChI: 1S/C26H26BrClN2O3S2/c1-3-18(15-26-29(4-2)24-17-20(27)7-11-25(24)34-26)14-22-9-6-19-16-21(28)8-10-23(19)30(22)12-5-13-35(31,32)33/h6-11,14-17H,3-5,12-13H2,1-2H3
• InChIKey: GLLQOQWZQQOWTA-UHFFFAOYSA-N