RefChem:239920

trisodium;4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate

Also Known As: 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)-, sodium salt (1:3)|Trisodium 4-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate|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)-, trisodium salt|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)-, trisodium salt|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)-, sodium salt (1:3)|1H-Pyrazole-3-carboxylicacid,4-[2-[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-,sodium salt (1:3)|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)-, tripotassium salt|1H-Pyrazole-3-carboxylicacid,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 salt (1:3)|4-[[5-[(4,6-Dichloro-1,3,5-triazin-2-yl)amino]-2-[(sodiooxy)sulfonyl]phenyl]azo]-4,5-dihydro-5-oxo-1-[4-[(sodiooxy)sulfonyl]phenyl]-1H-pyrazole-3-carboxylic acid sodium salt|Trisodium 4-({5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl}diazenyl)-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylate|trisodium 4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate|TRISODIUM 4-[[5-[(4,6-DICHLORO-1,3,5-TRIAZIN-2-YL)AMINO]-2-SULPHONATOPHENYL]AZO]-4,5-DIHYDRO-5-OXO-1-(4-SULPHONATOPHENYL)-1H-PYRAZOLE-3-CARBOXYLATE

Molecular Formula	C19H9Cl2N8Na3O9S2
Molecular Weight	695.9004 g/mol
LogP	-8.6528
Topological Polar Surface Area	279.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	16
Rotatable Bonds	5
Exact Mass	695.9004
Monoisotopic Mass	695.9004
Heavy Atoms	43
Complexity	1210.0

Chemical Identifiers

CAS Number	97404-00-7
SMILES	C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=CC(=C3)NC4=NC(=NC(=N4)Cl)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChIKey	MDDBJWMJDPVHEL-UHFFFAOYSA-K