EINECS 275-104-4

tetrasodium;1-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfonatophenyl]-4-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylate

Also Known As: 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt|1-(3-((4-Chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt|1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)|1-[3-[[4-Chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[2-[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid sodium (1:4)|1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium|1H-Pyrazole-3-carboxylic acid, 1-[3-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-, tetrasodium salt|1H-Pyrazole-3-carboxylicacid,1-[3-[[4-chloro-6-[ amino]-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfophenyl]-4-[[4-[[4-chloro-6-[ amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-,tetrasodium|tetrasodium 1-[3-[[4-chloro-6-(4-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-methyl-5-sulfonatophenyl]-4-[[4-[[4-chloro-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-5-oxo-4H-pyrazole-3-carboxylate

Molecular Formula	C35H22Cl2N14Na4O15S4
Molecular Weight	1167.924 g/mol
LogP	-9.77378
Topological Polar Surface Area	482.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	28
Rotatable Bonds	12
Exact Mass	1167.924
Monoisotopic Mass	1167.924
Heavy Atoms	74
Complexity	2350.0

Chemical Identifiers

CAS Number	71002-16-9
SMILES	CC1=C(C=C(C=C1N2C(=O)C(C(=N2)C(=O)[O-])N=NC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=NC(=NC(=N6)NC7=CC=C(C=C7)S(=O)(=O)O)Cl.[Na+].[Na+].[Na+].[Na+]
InChIKey	WEEZPKPTHXXCDK-UHFFFAOYSA-J