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Substance Name: EINECS 281-487-9
RN: 83951-72-8
InChIKey: KKPBMMDZZLMSHE-LPJGVQGWSA-F

Molecular Formula

  • C32-H13-Cl2-Cu2-N5-O16-S4.4Na

Molecular Weight

  • 1141.6957
 
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Names and Synonyms

Results Name

  • EINECS 281-487-9

Synonym

  • EINECS 281-487-9

Systematic Name

  • Tetrasodium (mu-((7,7'-iminobis(3-((3-chloro-2-hydroxy-5-sulphophenyl)azo)-4-hydroxynaphthalene-2-sulphonato))(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 83951-72-8

System Generated Number

  • 0083951728

Molecular Formulas

Molecular Formula

  • C32-H13-Cl2-Cu2-N5-O16-S4.4Na

Molecular Formula Fragments

  • C32-H13-Cl2-Cu2-N5-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H21Cl2N5O16S4.2Cu.4Na/c33-21-9-17(56(44,45)46)11-23(31(21)42)36-38-27-25(58(50,51)52)7-13-5-15(1-3-19(13)29(27)40)35-16-2-4-20-14(6-16)8-26(59(53,54)55)28(30(20)41)39-37-24-12-18(57(47,48)49)10-22(34)32(24)43;;;;;;/h1-12,35,40-43H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;;/q;2*+2;4*+1/p-8/b38-36+,39-37+;;;;;;

InChIKey

KKPBMMDZZLMSHE-LPJGVQGWSA-F

Smiles

[Na+].[Na+].[Na+].[Na+].Clc1cc2cc3N=Nc4c5O[Cu-2](Oc13)(OS2(=O)=O)OS(=O)(=O)c4cc6cc(Nc7ccc8c9O[Cu-2]%10%11Oc%12c(Cl)cc(cc%12N=Nc9c(cc8c7)S(=O)(=O)O%10)S(=O)(=O)O%11)ccc56