71243-96-4

Name: Nickelate(3-), (22-(((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(5-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:3), (SP-4-2)-
Chemical Name: Nickelate(3-), (22-(((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(5-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:3), (SP-4-2)-
CAS Number: 71243-96-4
Molecular Formula: C₄₂H₁₈ClF₂N₁₂Na₃NiO₁₁S₄
Molecular Weight: 1196.0
Create Date: 2024-09-03 19:25:20
Modify Date: 2024-09-03 19:25:20

Name	Nickelate(3-), (22-(((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(5-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:3), (SP-4-2)-

Molecular Formula	C₄₂H₁₈ClF₂N₁₂Na₃NiO₁₁S₄
Molecular Weight	1196.0
Smiles	O=S(=O)([O-])c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1cccc(S(=O)(=O)[O-])c41)-c1cccc(S(=O)(=O)Nc4cccc(Nc5nc(F)nc(F)c5Cl)c4)c1-3)c1cccc(S(=O)(=O)[O-])c21.[Na+].[Na+].[Na+].[Ni+2]