4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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![4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3f1f4376f98d471e9f79f35a3bc6a23e.png "4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid")
4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
10149-98-1
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Formula:
C18H16N4O12S3
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Chemical Name:
4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-;2-Pyrazoline-3-carboxylic acid,4-[[p-[(2-hydroxyethyl)sulfonyl]phenyl]azo]-5-oxo-1-(p-sulfophenyl)-,hydrogen sulfate (ester);1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-;2-Pyrazoline-3-carboxylic acid,4-[[p-[(2-hydroxyethyl)sulfonyl]phenyl]azo]-5-oxo-1-(p-sulfophenyl)-,hydrogen sulfate;4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid;4,5-Dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid;28252-17-7
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CAS No:
4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
576.5 g/mol
576.53
233-418-9
Safety Information
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 4 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:576.5
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:10
Exact Mass:575.99268548
Monoisotopic Mass:575.99268548
Topological Polar Surface Area:272
Heavy Atom Count:37
Complexity:1250
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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