4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
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![4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/7a2b1c76a59742e1b9df1fd547617c05.png "4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid")
4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
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CAS No:
26455-70-9
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Formula:
C23H20N4O7S2
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Chemical Name:
4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
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Synonyms:
UNII-030MT3P5T8;030MT3P5T8;Acid Yellow 76 free acid;ZINC44459954;ZINC104212903;ZINC257345428;26455-70-9;Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-;Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-;Benzenesulfonic acid, p-(4-((p-hydroxyphenyl)azo)-3-methyl-5-oxo-2-pyrazolin-1-yl)-, p-toluenesulfonate (ester)
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CAS No:
4-[5-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Basic Attributes
528.6 g/mol
528.07734134 g/mol
030MT3P5T8
Computed Properties
Molecular Weight:528.6
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:528.07734134
Monoisotopic Mass:528.07734134
Topological Polar Surface Area:172
Heavy Atom Count:36
Complexity:1070
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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