4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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![4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/94a1fd458af14fa08e4e9aacb3e73c94.png "4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid")
4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
structure -
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CAS No:
34142-26-2
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Formula:
C21H18N4O8S2
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Chemical Name:
4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,4-[4-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-;Benzenesulfonic acid,p-[3-methyl-4-[[3-methyl-5-oxo-1-(p-sulfophenyl)-2-pyrazolin-4-ylidene]methyl]-5-oxo-2-pyrazolin-1-yl]-;4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid;Bis[5-methyl-2-p-sulfophenyl-3-pyrazolone-(4)]methineoxonol
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CAS No:
4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid Basic Attributes
518.52000
518.52
251-848-5
4-[4-[[1,5-Dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid Use and Manufacturing
Benzenesulfonic acid, 4-[4-[[1,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-4H-pyrazol-4-ylidene]methyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-: INACTIVE
Computed Properties
Molecular Weight:518.5
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:518.05660589
Monoisotopic Mass:518.05660589
Topological Polar Surface Area:191
Heavy Atom Count:35
Complexity:1200
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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