3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
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![3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/87dc3ad7374342458897ffea072936e0.png "3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid")
3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
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CAS No:
6949-22-0
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Formula:
C40H35N9NaO7S+
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Chemical Name:
3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid
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CAS No:
3-[[4-[4-[[2,4-diamino-3-[[4-(4-ethoxyanilino)-3-sulfophenyl]diazenyl]-5-methylphenyl]diazenyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylic acid Basic Attributes
808.81700
785.23801566 g/mol
Computed Properties
Molecular Weight:785.8
XLogP3:8.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:13
Exact Mass:785.23801566
Monoisotopic Mass:785.23801566
Topological Polar Surface Area:268
Heavy Atom Count:57
Complexity:1480
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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