2-[3-[5,6-Dichloro-1-Ethyl-1,3-Dihydro-3-(3-Sulphonatobutyl)-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethylbenzoxazolium
[CAS# 40703-12-6]

Identification

• Name: 2-[3-[5,6-Dichloro-1-Ethyl-1,3-Dihydro-3-(3-Sulphonatobutyl)-2H-Benzimidazol-2-Ylidene]Prop-1-Enyl]-3-Ethylbenzoxazolium
• Synonyms: 4-[(2Z)-5,6-Dichloro-3-Ethyl-2-[(Z)-3-(3-Ethyl-2H-1,3-Benzoxazol-1-Ium-2-Yl)Prop-2-Enylidene]-1-Benzimidazolyl]Butane-2-Sulfonate; 2-(3-(5,6-Dichloro-1-Ethyl-1,3-Dihydro-3-(3-Sulphonatobutyl)-2H-Benzimidazol-2-Ylidene)Prop-1-Enyl)-3-Ethylbenzoxazolium
• Molecular Formula: C₂₅H₂₉Cl₂N₃O₄S
• Molecular Weight: 538.49
• CAS Registry Number: 40703-12-6
• EINECS: 255-046-6
• SMILES: C2=C1N(CCC([S]([O-])(=O)=O)C)\C(N(C1=CC(=C2Cl)Cl)CC)=C/C=C\C4[OH+]C3=CC=CC=C3N4CC
• InChI: 1S/C25H29Cl2N3O4S/c1-4-28-21-15-18(26)19(27)16-22(21)30(14-13-17(3)35(31,32)33)24(28)11-8-12-25-29(5-2)20-9-6-7-10-23(20)34-25/h6-12,15-17,25H,4-5,13-14H2,1-3H3,(H,31,32,33)/b12-8-,24-11-
• InChIKey: SNAXAOHAXIBVOD-GEALTWMLSA-N