AC1L422H

copper;tetrasodium;7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate

Also Known As: Cuprate(4-), (7-((4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methoxy-3-sulfophenyl)azo)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(6-))-, tetrasodium|Cuprate(4-), (7-(2-(4-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methoxy-3-sulfophenyl)diazenyl)-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-8-(hydroxy-kappaO)-1,3,6-naphthalenetrisulfonato(6-))-, sodium (1:4)|copper tetrasodium 7-[[4-[[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-methoxy-3-sulfonatophenyl]diazenyl]-2-oxidophenyl]diazenyl]-8-oxidonaphthalene-1,3,6-trisulfonate|Cuprate(4-), (7-((4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-methoxy-3-sulfophenyl)azo)-2-hydroxyphenyl)azo)-8-hydroxy-1,3,6-naphthalenetrisulfonato(6-))-, tetrasodium|Cuprate(4-), [7-[[4-[[5-[(5-chloro-2,6- difluoro-4-pyrimidinyl)amino]-2-methoxy-3-sulfophenyl ]azo]-2-hydroxyphenyl]azo]-8-hydroxy-1,3,6-naphthalenetrisulfonat o(6-)]-, tetrasodium|Cuprate(4-), [7-[[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methoxy-3-sulfophenyl]azo]-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-8-(hydroxy-.kappa.O)-1,3,6-naphthalenetrisulfonato(6-)]-, tetrasodium|Cuprate(4-), [7-[[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-methoxy-3-sulfophenyl]azo]-2-hydroxyphenyl]azo]-8-hydroxy-1,3,6-naphthalenetrisulfonato(6-)]-, tetrasodium

Molecular Formula	C27H12ClCuF2N7Na4O15S4
Molecular Weight	1029.7817 g/mol
LogP	-9.0785
Topological Polar Surface Area	405.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	24
Rotatable Bonds	7
Exact Mass	1029.7817
Monoisotopic Mass	1029.7817
Heavy Atoms	61
Complexity	1850.0

Chemical Identifiers

CAS Number	68239-54-3
SMILES	COC1=C(C=CC(=C1S(=O)(=O)[O-])NC2=C(C(=NC(=N2)F)F)Cl)N=NC3=CC(=C(C=C3)N=NC4=C(C5=C(C=C(C=C5C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2]
InChIKey	BLOXDJUACNJCBN-UHFFFAOYSA-H