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Substance Name: C.I. Direct Black 22, sodium salt
RN: 83221-67-4
InChIKey: QTFHTNFVUCUDIR-MEOBUMOMSA-K

Molecular Formula

  • C44-H35-N13-O11-S3.x-Na

Molecular Weight

  • 1083.98
 
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Names and Synonyms

Results Name

  • C.I. Direct Black 22, sodium salt

Synonyms

  • C.I. Direct Black 22, sodium salt
  • EINECS 280-246-5

Systematic Names

  • 2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, sodium salt
  • Sodium 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulpho-2-naphthyl)azo)phenyl)amino)-3-sulphophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 83221-67-4

System Generated Number

  • 0083221674

Molecular Formulas

Molecular Formula

  • C44-H35-N13-O11-S3.x-Na

Molecular Formula Fragments

  • C44-H35-N13-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H35N13O11S3.3Na/c45-24-3-12-35(33(47)17-24)54-51-28-5-1-22-15-39(70(63,64)65)41(43(58)31(22)19-28)56-50-27-9-7-26(8-10-27)49-37-14-11-30(21-38(37)69(60,61)62)53-57-42-40(71(66,67)68)16-23-2-6-29(20-32(23)44(42)59)52-55-36-13-4-25(46)18-34(36)48;;;/h1-21,49,58-59H,45-48H2,(H,60,61,62)(H,63,64,65)(H,66,67,68);;;/q;3*+1/p-3/b54-51+,55-52+,56-50+,57-53+;;;

InChIKey

QTFHTNFVUCUDIR-MEOBUMOMSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2cc(ccc12)\N=N\c1c(cc(cc1)N)N)O)\N=N\c1cc(c(cc1)Nc1ccc(cc1)\N=N\c1c(c2cc(ccc2cc1S(=O)(=O)[O-])\N=N\c1c(cc(cc1)N)N)O)S(=O)(=O)[O-])S(=O)(=O)[O-]