1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?)
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![1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/a8a95b7a564b4390a3a3c1536734c935.png "1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?)")
1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?)
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CAS No:
85631-78-3
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Formula:
C19H12Cl2N8O9S2.xK.xNa
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Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?)
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Synonyms:
1H-Pyrazole-3-carboxylic acid,4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,potassium sodium salt (1:?:?);1H-Pyrazole-3-carboxylic acid,4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,potassium sodium salt
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CAS No:
1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?) Basic Attributes
1442.98213
691.908
288-027-6
Computed Properties
Molecular Weight:693.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:8
Exact Mass:691.9080475
Monoisotopic Mass:691.9080475
Topological Polar Surface Area:271
Heavy Atom Count:42
Formal Charge:2
Complexity:1240
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, potassium sodium salt (1:?:?)
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