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Substance 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)-
RN: 71243-96-4
InChIKey: LPTZMSRRBMGKFI-UHFFFAOYSA-K

Molecular Formula

  • C42-H18-Cl-F2-N12-Ni-O11-S4.3Na

Molecular Weight

  • 1196.0532
 
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Names and Synonyms

Synonym

  • EINECS 275-295-4

Systematic Names

  • 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)-
  • 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)-, trisodium, (SP-4-2)-
  • Nickelate(3-), (22-(((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)amino)sulfonyl)-29H,31H-phthalocyanine-1,8,15-trisulfonato(5-)-N29,N39,N31,N32)-, trisodium, (SP-4-2)-
  • Trisodium (22-(((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)phenyl)amino)sulphonyl)-29H,31H-phthalocyanine-1,8,15-trisulphonato(5-)-N29,N30,N31,N32)nickelate(3-)

Registry Numbers

CAS Registry Number

  • 71243-96-4

System Generated Number

  • 0071243964

Molecular Formulas

Molecular Formula

  • C42-H18-Cl-F2-N12-Ni-O11-S4.3Na

Molecular Formula Fragments

  • C42-H18-Cl-F2-N12-Ni-O11-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H21ClF2N12O11S4.3Na.Ni/c43-31-32(44)47-42(45)56-41(31)46-17-6-1-7-18(16-17)57-69(58,59)23-12-2-8-19-27(23)37-48-33(19)50-38-29-21(10-4-14-25(29)71(63,64)65)35(52-38)54-40-30-22(11-5-15-26(30)72(66,67)68)36(55-40)53-39-28-20(34(49-37)51-39)9-3-13-24(28)70(60,61)62;;;;/h1-16,57H,(H4-2,46,47,48,49,50,51,52,53,54,55,56,60,61,62,63,64,65,66,67,68);;;;/q-2;3*+1;+2/p-3

InChIKey

LPTZMSRRBMGKFI-UHFFFAOYSA-K

Smiles

c1cc(cc(c1)NS(=O)(=O)c2cccc\3c2-c4/nc\5/c6cccc(c6c7/n5[Ni]n8c(c9cccc(c9c8/nc3\n4)S(=O)(=O)[O-])/nc/1\nc(\n7)-c2c1c(ccc2)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc1c(c(nc(n1)F)F)Cl.[Na+].[Na+].[Na+]