5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium
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5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium
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CAS No:
53332-87-9
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Formula:
C29H35Cl4N4O6S2
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Chemical Name:
5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium
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Synonyms:
1H-Benzimidazolium,5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-;1H-Benzimidazolium,5,6-dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1-ethyl-3-(4-sulfobutyl)-;5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium;1,1′-Diethyl-3,3′-disulfobutyl-5,5′,6,6′-tetrachlorobenzimidazolocarbocyanine
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CAS No:
5,6-Dichloro-2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-1-ethyl-3-(4-sulfobutyl)-1H-benzimidazolium Basic Attributes
741.5534
741.072
258-485-1
Computed Properties
Molecular Weight:741.6
XLogP3:6.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:741.072263
Monoisotopic Mass:739.075213
Topological Polar Surface Area:141
Heavy Atom Count:45
Formal Charge:1
Complexity:1170
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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