benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
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![benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/28140c47aa614f0fab2e84b4a5f9047e.png "benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium")
benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
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CAS No:
1039452-58-8
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Formula:
C37H37N2O6S2+
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Chemical Name:
benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium
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Synonyms:
Acid Blue 7 free acid;UNII-9B04W34BBD;9B04W34BBD;C.I.Acid Blue 7;21563-97-3;SCHEMBL7568021;ZINC4235520;Q27895966;1039452-58-8;Benzenemethanaminium, N-(4-((2,4-disulfophenyl)(4-(ethyl(phenylmethyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-;N-[4-[(2,4-Disulfophenyl)[4-[ethyl(phenylmethyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylbenzenemethanaminium
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CAS No:
benzyl-[4-[[4-[benzyl(ethyl)amino]phenyl]-(2,4-disulfophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-ethylazanium Basic Attributes
669.8 g/mol
669.20930425 g/mol
244-444-5
9B04W34BBD
Computed Properties
Molecular Weight:669.8
XLogP3:6.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:669.20930425
Monoisotopic Mass:669.20930425
Topological Polar Surface Area:132
Heavy Atom Count:47
Formal Charge:1
Complexity:1310
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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