3-Ethyl-2-[3-[1-Ethyl-1,3-Dihydro-3-(4-Sulphonatobutyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-5-Phenylbenzoxazolium
[CAS# 55811-27-3]

Identification

• Name: 3-Ethyl-2-[3-[1-Ethyl-1,3-Dihydro-3-(4-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-1-Sulfonate; 3-Ethyl-2-(3-(1-Ethyl-1,3-Dihydro-3-(4-Sulphonatobutyl)-5-(Trifluoromethyl)-2H-Benzimidazol-2-Ylidene)Prop-1-Enyl)-5-Phenylbenzoxazolium
• Molecular Formula: C₃₂H₃₄F₃N₃O₄S
• Molecular Weight: 613.69
• CAS Registry Number: 55811-27-3
• EINECS: 259-835-6
• SMILES: C1=C(C=CC2=C1N(\C(N2CC)=C/C=C\C3[OH+]C4=C(N3CC)C=C(C=C4)C5=CC=CC=C5)CCCC[S]([O-])(=O)=O)C(F)(F)F
• InChI: 1S/C32H34F3N3O4S/c1-3-36-26-17-16-25(32(33,34)35)22-27(26)38(19-8-9-20-43(39,40)41)30(36)13-10-14-31-37(4-2)28-21-24(15-18-29(28)42-31)23-11-6-5-7-12-23/h5-7,10-18,21-22,31H,3-4,8-9,19-20H2,1-2H3,(H,39,40,41)/b14-10-,30-13-
• InChIKey: GIZOVJJLFOIPCX-DVBFKTQESA-N