4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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![4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5f14f8fe1de947359955d073960838db.png "4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid")
4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
62223-58-9
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Formula:
C26H18ClN9O14S3
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Chemical Name:
4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-[2-[5-[[4-[(2-carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;1H-Pyrazole-3-carboxylic acid,4-[[5-[[4-[(2-carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-;2-Pyrazoline-3-carboxylic acid,4-[[5-[[4-(2-carboxy-4-sulfoanilino)-6-chloro-s-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-oxo-1-(p-sulfophenyl)-;4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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CAS No:
4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid Basic Attributes
812.12102
812.12
263-466-6
Computed Properties
Molecular Weight:812.1
XLogP3:2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:12
Exact Mass:810.9823875
Monoisotopic Mass:810.9823875
Topological Polar Surface Area:383
Heavy Atom Count:53
Complexity:1800
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-[2-[5-[[4-[(2-Carboxy-4-sulfophenyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
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