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Substance Name: Acid Black 84
RN: 6408-22-6
InChIKey: SVGQNNVVRNJWMM-TVZDQSRHSA-D

Molecular Formula

  • C34-H18-Cr-N8-O26-S6.H.6Na

Molecular Weight

  • 1336.88
 
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Names and Synonyms

Results Name

  • Acid Black 84

Synonyms

  • C.I. Acid Black 84
  • EINECS 229-050-3

Systematic Names

  • Chromate(7-), bis(4-(hydroxy-kappaO)-3-((2-(hydroxy-kappaO)-5-nitro-3-sulfophenyl)azo-kappaN1)-6-((sulfomethyl)amino)-2-naphthalenesulfonato(5-))-, hexasodium hydrogen
  • Chromate(7-), bis(4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-nitro-3-sulfophenyl)diazenyl-kappaN1)-6-((sulfomethyl)amino)-2-naphthalenesulfonato(5-))-, sodium hydrogen (1:6:1)
  • Chromate(7-), bis(4-hydroxy-3-((2-hydroxy-5-nitro-3-sulfophenyl)azo)-6-((sulfomethyl)amino)-2-naphthalenesulfonato(5-))-, hexasodium hydrogen
  • Hexasodium hydrogen bis(4-hydroxy-3-((2-hydroxy-5-nitro-3-sulphophenyl)azo)-6-((sulphomethyl)amino)naphthalene-2-sulphonato(5-))chromate(7-)

Registry Numbers

CAS Registry Number

  • 6408-22-6

System Generated Number

  • 0006408226

Molecular Formulas

Molecular Formula

  • C34-H18-Cr-N8-O26-S6.H.6Na

Molecular Formula Fragments

  • C34-H18-Cr-N8-O26-S6
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/2C17H14N4O13S3.Cr.6Na/c22-16-11-2-1-9(18-7-35(26,27)28)3-8(11)4-13(36(29,30)31)15(16)20-19-12-5-10(21(24)25)6-14(17(12)23)37(32,33)34;22-16-11-4-9(18-7-35(26,27)28)2-1-8(11)3-13(36(29,30)31)15(16)20-19-12-5-10(21(24)25)6-14(17(12)23)37(32,33)34;;;;;;;/h2*1-6,18,22-23H,7H2,(H,26,27,28)(H,29,30,31)(H,32,33,34);;;;;;;/q;;;6*+1/p-10/b2*20-19+;;;;;;;

InChIKey

SVGQNNVVRNJWMM-TVZDQSRHSA-D

Smiles

c12c(cc(c(c1[O-])\N=N\c1c(c(cc(c1)[N+](=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-])ccc(c2)NCS(=O)(=O)[O-].c12c(c(c(\N=N\c3c(c(cc(c3)[N+](=O)[O-])S(=O)(=O)[O-])[O-])c(c1)S(=O)(=O)[O-])[O-])ccc(c2)NCS(=O)(=O)[O-].[Cr].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]