RefChem:79721

4-[5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-3-(3-sulfobutyl)benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate;N,N-diethylethanamine

Also Known As: EINECS 263-943-9|1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)|1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)|1H-Benzimidazolium, 5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(3-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Molecular Formula	C35H49Cl4N5O6S2
Molecular Weight	839.18787 g/mol
LogP	8.1
Topological Polar Surface Area	130.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	15
Exact Mass	841.1849
Heavy Atoms	52
Complexity	1994.4

Chemical Identifiers

CAS Number	63148-91-4
SMILES	CCN1C2=CC(=C(C=C2[N+](=C1C=CC=C3N(C4=CC(=C(C=C4N3CCC(C)S(=O)(=O)O)Cl)Cl)CC)CCC(C)S(=O)(=O)[O-])Cl)Cl.CCN(CC)CC