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Substance Name: Trisodium 4-((2,6-dihydroxy-3-((4-nitrophenyl)azo)-5-((4-sulphonato-1-naphthyl)azo)phenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate
RN: 81064-47-3
InChIKey: DCMDMLUMPRMKBM-XOTDNOFSSA-K

Molecular Formula

  • C32-H21-N7-O14-S3.3Na

Molecular Weight

  • 889.6972
 
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Names and Synonyms

Synonym

  • EINECS 279-681-3

Systematic Name

  • Trisodium 4-((2,6-dihydroxy-3-((4-nitrophenyl)azo)-5-((4-sulphonato-1-naphthyl)azo)phenyl)azo)-5-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 81064-47-3

System Generated Number

  • 0081064473

Molecular Formulas

Molecular Formula

  • C32-H21-N7-O14-S3.3Na

Molecular Formula Fragments

  • C32-H21-N7-O14-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H21N7O14S3.3Na/c40-27-14-20(55(48,49)50)12-16-11-19(54(45,46)47)13-24(29(16)27)35-38-30-31(41)25(36-33-17-5-7-18(8-6-17)39(43)44)15-26(32(30)42)37-34-23-9-10-28(56(51,52)53)22-4-2-1-3-21(22)23;;;/h1-15,40-42H,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b36-33+,37-34+,38-35+;;;

InChIKey

DCMDMLUMPRMKBM-XOTDNOFSSA-K

Smiles

c1ccc2c(c1)c(ccc2S(=O)(=O)[O-])/N=N/c3cc(c(c(c3O)/N=N/c4cc(cc5c4c(cc(c5)S(=O)(=O)[O-])O)S(=O)(=O)[O-])O)/N=N/c6ccc(cc6)[N+](=O)[O-].[Na+].[Na+].[Na+]