AC1L5BTQ

copper;trisodium;2-[3-methyl-5-oxido-4-[[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]pyrazol-1-yl]benzene-1,4-disulfonate

Also Known As: Cuprate(3-), (2-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)-1,4-benzenedisulfonato(5-))-, trisodium|Cuprate(3-), (2-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-sulfo-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)-1,4-benzenedisulfonato(5-))-, sodium (1:3)|Cuprate(3-), [2-[4,5-dihydro-4-[[2-(hydroxy-.kappa.O)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]-1,4-benzenedisulfonato(5-)]-, trisodium|copper trisodium 2-[3-methyl-5-oxido-4-[[2-oxido-5-sulfonato-3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]pyrazol-1-yl]benzene-1,4-disulfonate|Cuprate(3-), [2-[4,5-dihydro-4-[[2-hydroxy-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-1,4-benzenedisulfonato(5-)]-, trisodium|Cuprate(3-), [2-[4,5-dihydro-4-[2-[2-(hydroxy-.kappa.O)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]-1,4-benzenedisulfonato(5-)]-, sodium (1:3)|Cuprate(3-), [2-[4,5-dihydro-4-[2-[2-(hydroxy-kappaO)-5-sulfo-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]diazenyl-kappaN1]-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl]-1,4-benzenedisulfonato(5-)]-, sodium (1:3)|Trisodium (2-(4,5-dihydro-4-((2-hydroxy-5-sulpho-3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonato(5-))cuprate(3-)|Trisodium [2-[4,5-dihydro-4-[[2-hydroxy-5-sulpho-3-[(2,5,6-trichloro-4-pyrimidinyl)amino]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonato(5-)]cuprate(3-)

Molecular Formula	C20H9Cl3CuN7Na3O11S3
Molecular Weight	855.7577 g/mol
LogP	-7.04108
Topological Polar Surface Area	323.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	17
Rotatable Bonds	5
Exact Mass	855.7577
Monoisotopic Mass	855.7577
Heavy Atoms	48
Complexity	1340.0

Chemical Identifiers

CAS Number	72152-47-7
SMILES	CC1=NN(C(=C1N=NC2=CC(=CC(=C2[O-])NC3=C(C(=NC(=N3)Cl)Cl)Cl)S(=O)(=O)[O-])[O-])C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2]
InChIKey	ZMHNCMDBSQPQPP-UHFFFAOYSA-I