Chlorphenoctium Amsonate

5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate;(2,4-dichlorophenoxy)methyl-dimethyl-octylazanium

Also Known As: Chlorphenoctium Amsonate|5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfo|5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonate; (2,4-dichlorophenoxy)methyl-dimethyl-octylazanium

Molecular Formula	C31H41Cl2N3O7S2
Molecular Weight	701.1763 g/mol
LogP	6.94
Topological Polar Surface Area	172.84 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	14
Exact Mass	701.1763
Heavy Atoms	45
Complexity	1596.9

Chemical Identifiers

CAS Number	7168-18-5
SMILES	CCCCCCCC[N+](C)(C)COC1=C(C=C(C=C1)Cl)Cl.C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-]