2-{3-[5,6-Dichloro-1-(2-hydroxyethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl}-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate
[CAS# 84434-32-2]

Identification

• Name: 2-{3-[5,6-Dichloro-1-(2-hydroxyethyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propen-1-yl}-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium 4-methylbenzenesulfonate
• Synonyms: 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium toluene-p-sulphonate
• Molecular Formula: C₃₅H₃₃Cl₂N₃O₅S
• Molecular Weight: 678.62
• CAS Registry Number: 84434-32-2
• EINECS: 282-830-5
• SMILES: [O-]S(=O)(=O)c1ccc(C)cc1.Clc4cc5N(C)C(=CC=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CCO)c5cc4Cl
• InChI: 1S/C28H26Cl2N3O2.C7H8O3S/c1-3-32-25-16-20(19-8-5-4-6-9-19)12-13-26(25)35-28(32)11-7-10-27-31(2)23-17-21(29)22(30)18-24(23)33(27)14-15-34;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,16-18,34H,3,14-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: VQBUXFUINJEYEI-UHFFFAOYSA-M