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Substance Name: Trihydrogen (2-((4-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-5-hydroxy-o-tolyl)azo)benzene-1,4-disulphonato(5-))cuprate(3-)
RN: 35718-34-4
InChIKey: CEUAXSNECWNVNY-KCINWWGPSA-L

Molecular Formula

  • C27-H17-Cl-Cu-N9-O11-S3.3H

Molecular Weight

  • 841.704
 
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Names and Synonyms

Synonym

  • EINECS 252-691-5

Systematic Name

  • Trihydrogen (2-((4-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)-5-hydroxy-o-tolyl)azo)benzene-1,4-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 35718-34-4

System Generated Number

  • 0035718344

Molecular Formulas

Molecular Formula

  • C27-H17-Cl-Cu-N9-O11-S3.3H

Molecular Formula Fragments

  • C27-H17-Cl-Cu-N9-O11-S3
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C27H22ClN9O11S3.Cu/c1-12-7-18(20(38)11-17(12)33-35-19-10-15(49(40,41)42)4-6-21(19)50(43,44)45)34-36-23-22(51(46,47)48)9-13-8-14(3-5-16(13)24(23)39)37(2)27-31-25(28)30-26(29)32-27;/h3-11,38-39H,1-2H3,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,29,30,31,32);/q;+2/p-2/b35-33+,36-34+;

InChIKey

CEUAXSNECWNVNY-KCINWWGPSA-L

Smiles

[H+].[H+].[H+].Cc1cc\2c3cc1/N=N/c4cc5ccc4S(=O)(=O)O[Cu-3]6(O3)(Oc7c8ccc(cc8cc(c7/N=N2)S(=O)(=O)O6)N(C)c9nc(nc(n9)Cl)N)OS5(=O)=O