2-[3-[5-Chloro-3-Ethyl-1,3-Dihydro-1-(3-Sulfopropyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene]-1-Propen-1-Yl]-3-Ethyl-Benzoxazolium Inner Salt
[CAS# 83783-58-8]

Identification

• Name: 2-[3-[5-Chloro-3-Ethyl-1,3-Dihydro-1-(3-Sulfopropyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene]-1-Propen-1-Yl]-3-Ethyl-Benzoxazolium Inner Salt
• Synonyms: 3-[(2E)-5-Chloro-3-Ethyl-2-[(E)-3-(3-Ethyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Prop-2-Enylidene]-6-(Trifluoromethyl)-1-Benzimidazolyl]Propane-1-Sulfonate; 2-(3-(5-Chloro-3-Ethyl-1,3-Dihydro-1-(3-Sulphonatopropyl)-6-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)Prop-1-Enyl)-3-Ethylbenzoxazolium
• Molecular Formula: C₂₅H₂₇ClF₃N₃O₄S
• Molecular Weight: 558.01
• CAS Registry Number: 83783-58-8
• EINECS: 280-792-4
• SMILES: C1=C(C(=CC2=C1N(\C(N2CC)=C\C=C\C4[OH+]C3=CC=CC=C3N4CC)CCC[S]([O-])(=O)=O)Cl)C(F)(F)F
• InChI: 1S/C25H27ClF3N3O4S/c1-3-30-21-16-18(26)17(25(27,28)29)15-20(21)32(13-8-14-37(33,34)35)23(30)11-7-12-24-31(4-2)19-9-5-6-10-22(19)36-24/h5-7,9-12,15-16,24H,3-4,8,13-14H2,1-2H3,(H,33,34,35)/b12-7+,23-11+
• InChIKey: PMGUJRDVRPCSDF-UPDZZBEESA-N