Bis{N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyl-1-octanaminium} 2,2'-[(E)-1,2-ethenediyl]bis(5-aminobenzenesulfonate)
[CAS# 93840-59-6]

Identification

• Name: Bis{N-[(2,4-dichlorophenoxy)methyl]-N,N-dimethyl-1-octanaminium} 2,2'-[(E)-1,2-ethenediyl]bis(5-aminobenzenesulfonate)
• Synonyms: bis[[(2,4-dichlorophenoxy)methyl]dimethyloctylammonium] 4,4'-diaminostilbene-2,2'-disulphonate
• Molecular Formula: C₄₈H₆₈Cl₄N₄O₈S₂
• Molecular Weight: 1035.02
• CAS Registry Number: 93840-59-6
• EINECS: 298-924-4
• SMILES: Clc1cc(Cl)ccc1OC[N+](C)(C)CCCCCCCC.[O-]S(=O)(=O)c2cc(N)ccc2/C=C/c1ccc(N)cc1S([O-])(=O)=O.CCCCCCCC[N+](C)(C)COc1ccc(Cl)cc1Cl
• InChI: 1S/2C17H28Cl2NO.C14H14N2O6S2/c2*1-4-5-6-7-8-9-12-20(2,3)14-21-17-11-10-15(18)13-16(17)19;15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h2*10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q2*+1;/p-2/b;;2-1+
• InChIKey: MDEZLGZRBQJCEK-WXXKFALUSA-L