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Substance Name: Trisodium (5-acetamido-4-hydroxy-3-((2-hydroxy-5-methoxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3-)
RN: 85631-95-4
InChIKey: RAAKPXFWFMUMOY-HHFSKNRISA-I

Molecular Formula

  • C21-H16-Cu-N3-O16-S4.3Na

Molecular Weight

  • 827.1424
 
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Names and Synonyms

Synonym

  • EINECS 288-045-4

Systematic Name

  • Trisodium (5-acetamido-4-hydroxy-3-((2-hydroxy-5-methoxy-4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonato(5-))cuprate(3-)

Registry Numbers

CAS Registry Number

  • 85631-95-4

System Generated Number

  • 0085631954

Molecular Formulas

Molecular Formula

  • C21-H16-Cu-N3-O16-S4.3Na

Molecular Formula Fragments

  • C21-H16-Cu-N3-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H21N3O16S4.Cu.3Na/c1-10(25)22-14-7-12(42(30,31)32)5-11-6-18(43(33,34)35)20(21(27)19(11)14)24-23-13-8-16(39-2)17(9-15(13)26)41(28,29)4-3-40-44(36,37)38;;;;/h5-9,26-27H,3-4H2,1-2H3,(H,22,25)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;;/q;+2;3*+1/p-5/b24-23+;;;;

InChIKey

RAAKPXFWFMUMOY-HHFSKNRISA-I

Smiles

[Na+].[Na+].[Na+].COc1cc2N=Nc3c4O[Cu-3]56(Oc2cc1S(=O)(=O)CCOS(=O)(=O)O5)OS(=O)(=O)c7cc(NC(=O)C)c4c(c7)cc3S(=O)(=O)O6