Chlorphenoctium Amsonate
[CAS# 7168-18-5]

Identification

• Name: Chlorphenoctium Amsonate
• Synonyms: 5-Amino-2-[(E)-2-(4-Amino-2-Sulfophenyl)Ethenyl]Benzenesulfonate; (2,4-Dichlorophenoxy)Methyl-Dimethyl-Octylazanium; 5-Amino-2-[2-(4-Amino-2-Sulfo-Phenyl)Vinyl]Benzenesulfonate; (2,4-Dichlorophenoxy)Methyl-Dimethyl-Octyl-Ammonium; 5-Amino-2-[(E)-2-(4-Amino-2-Sulfo-Phenyl)Vinyl]Benzenesulfonate; (2,4-Dichlorophenoxy)Methyl-Dimethyl-Octyl-Ammonium
• Molecular Formula: C₃₁H₄₁Cl₂N₃O₇S₂
• Molecular Weight: 702.71
• CAS Registry Number: 7168-18-5
• EINECS: 230-516-3
• SMILES: C1=CC(=CC(=C1\C=C\C2=CC=C(C=C2[S](=O)(=O)[O-])N)[S](O)(=O)=O)N.C3=C(OC[N+](CCCCCCCC)(C)C)C(=CC(=C3)Cl)Cl
• InChI: 1S/C17H28Cl2NO.C14H14N2O6S2/c1-4-5-6-7-8-9-12-20(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/h10-11,13H,4-9,12,14H2,1-3H3;1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/q+1;/p-1/b;2-1+
• InChIKey: GQCIBLGQUDFKGX-WLHGVMLRSA-M