AC1L41AT

2,5-dichloro-4-[4-[[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid

Also Known As: 4-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid|2,5-dichloro-4-(4-{2-[5-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-sulfophenyl]diazen-1-yl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid|2,5-dichloro-4-[4-[[5-[[4-chloro-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid|4-[[4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]benzenesulfonic acid|4-[[4-Chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[1-(2,5-dichloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]benzenesulfonic acid|4-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonic acid

Molecular Formula	C25H18Cl3N9O10S3
Molecular Weight	804.9404 g/mol
LogP	3.6
Topological Polar Surface Area	308.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	18
Rotatable Bonds	10
Exact Mass	804.9404
Monoisotopic Mass	804.9404
Heavy Atoms	50
Complexity	1640.0

Chemical Identifiers

CAS Number	85409-62-7
SMILES	CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)O)Cl)S(=O)(=O)O)C5=CC(=C(C=C5Cl)S(=O)(=O)O)Cl
InChIKey	CBYJYUPPRYTYSA-UHFFFAOYSA-N