3-Ethyl-2-[3-[1-Ethyl-1,3-Dihydro-3-(3-Sulphonatobutyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-5-Phenylbenzoxazolium
[CAS# 83783-57-7]

Identification

• Name: 3-Ethyl-2-[3-[1-Ethyl-1,3-Dihydro-3-(3-Sulphonatobutyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-5-Phenylbenzoxazolium
• Synonyms: 4-[(2Z)-3-Ethyl-2-[(Z)-3-(3-Ethyl-5-Phenyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Prop-2-Enylidene]-6-(Trifluoromethyl)-1-Benzimidazolyl]Butane-2-Sulfonate; 3-Ethyl-2-(3-(1-Ethyl-1,3-Dihydro-3-(3-Sulphonatobutyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)Prop-1-Enyl)-5-Phenylbenzoxazolium
• Molecular Formula: C₃₂H₃₄F₃N₃O₄S
• Molecular Weight: 613.69
• CAS Registry Number: 83783-57-7
• EINECS: 280-791-9
• SMILES: C1=C(C=CC2=C1N(CCC([S]([O-])(=O)=O)C)\C(N2CC)=C/C=C\C3[OH+]C4=C(N3CC)C=C(C=C4)C5=CC=CC=C5)C(F)(F)F
• InChI: 1S/C32H34F3N3O4S/c1-4-36-26-16-15-25(32(33,34)35)21-27(26)38(19-18-22(3)43(39,40)41)30(36)12-9-13-31-37(5-2)28-20-24(14-17-29(28)42-31)23-10-7-6-8-11-23/h6-17,20-22,31H,4-5,18-19H2,1-3H3,(H,39,40,41)/b13-9-,30-12-
• InChIKey: UQAVBQMOMILGIH-VYKYJSHUSA-N