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Substance Name: Cuprate(5-), (2-((((3-((4-((2-carboxyethyl)(3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-4-sulfobenzoato(7-))-, trisodium dihydrogen
RN: 84145-36-8
InChIKey: QMTLROBJGQDSMA-INRNMLHDSA-J

Molecular Formula

  • C34-H23-Cl-Cu-N9-O17-S4.2H.3Na

Molecular Weight

  • 1127.8505
 
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Names and Synonyms

Synonym

  • EINECS 282-262-8

Systematic Name

  • Cuprate(5-), (2-((((3-((4-((2-carboxyethyl)(3-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-4-sulfobenzoato(7-))-, trisodium dihydrogen

Registry Numbers

CAS Registry Number

  • 84145-36-8

System Generated Number

  • 0084145368

Molecular Formulas

Molecular Formula

  • C34-H23-Cl-Cu-N9-O17-S4.2H.3Na

Molecular Formula Fragments

  • C34-H23-Cl-Cu-N9-O17-S4
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C34H29ClN9O17S4.Cu.3Na/c35-32-37-33(39-34(38-32)44(12-11-28(45)46)20-7-4-8-21(15-20)62(50,51)14-13-61-65(58,59)60)36-26-17-23(64(55,56)57)18-27(29(26)47)41-43-30(19-5-2-1-3-6-19)42-40-25-16-22(63(52,53)54)9-10-24(25)31(48)49;;;;/h1-10,15-18,47H,11-14H2,(H,45,46)(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,36,37,38,39);;;;/q;4*+1/p-4/b42-40+,43-41+;;;;

InChIKey

QMTLROBJGQDSMA-INRNMLHDSA-J

Smiles

[H+].[H+].c1ccc(cc1)C23/N=N/c4cc5ccc4C(=O)O[Cu-5]2678(Oc9c(cc(cc9N=N3)S(=O)(=O)O6)Nc1nc(nc(n1)Cl)N(CCC(=O)O7)c1cccc(c1)S(=O)(=O)CCOS(=O)(=O)O8)OS5(=O)=O.[Na+].[Na+].[Na+]