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Substance Name: EINECS 235-414-2
RN: 12222-00-3
UNII: 2UCJ11P9F6
InChIKey: FTGXCLZZPPMCHU-YVPKWBBTSA-F

Molecular Formula

  • C32-H14-Cu2-N4-O16-S4.4Na

Molecular Weight

  • 1057.79
 
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Names and Synonyms

Results Name

  • EINECS 235-414-2

Name of Substance

  • Direct Blue 80

Synonyms

  • C.I. Direct Blue 80
  • EC 235-414-2
  • EINECS 235-414-2
  • UNII-2UCJ11P9F6

Systematic Names

  • Cuprate(4-), (mu-((4,4'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappaN1))bis(3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
  • Cuprate(4-), (mu-((4,4'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(azo-kappaN1))bis(3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((4,4'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Tetrasodium (mu-((4,4'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(3-hydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-)

Registry Numbers

CAS Registry Number

  • 12222-00-3

FDA UNII

  • 2UCJ11P9F6

Other Registry Numbers

  • 74411-35-1
  • 74411-36-2

System Generated Number

  • 0012222003

Molecular Formulas

Molecular Formula

  • C32-H14-Cu2-N4-O16-S4.4Na

Molecular Formula Fragments

  • C32-H14-Cu2-N4-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H22N4O16S4.2Cu.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+;;;;;;

InChIKey

FTGXCLZZPPMCHU-YVPKWBBTSA-F

Smiles

c12c(cc(S(=O)(=O)[O-])c(c1\N=N\c1c(cc(c3cc(c(\N=N\c4c5c(cc(c4[O-])S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc5)cc3)[O-])cc1)[O-])[O-])cc(S(=O)(=O)[O-])cc2.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+]