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Substance Name: Trisodium 5-((2-amino-5-methyl-4-((4-(2-(4-nitro-2-sulphonatophenyl)vinyl)-3-sulphonatophenyl)azoxy)phenyl)azo)naphthalene-1-sulphonate
RN: 85711-25-7
InChIKey: OZPBFJZDBGZJHZ-LTZIPKNCSA-K

Molecular Formula

  • C31-H24-N6-O12-S3.3Na

Molecular Weight

  • 834.7049
 
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Names and Synonyms

Synonym

  • EINECS 288-283-9

Systematic Name

  • Trisodium 5-((2-amino-5-methyl-4-((4-(2-(4-nitro-2-sulphonatophenyl)vinyl)-3-sulphonatophenyl)azoxy)phenyl)azo)naphthalene-1-sulphonate

Registry Numbers

CAS Registry Number

  • 85711-25-7

System Generated Number

  • 0085711257

Molecular Formulas

Molecular Formula

  • C31-H24-N6-O12-S3.3Na

Molecular Formula Fragments

  • C31-H24-N6-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H24N6O12S3.3Na/c1-18-14-27(34-33-26-6-2-5-24-23(26)4-3-7-29(24)50(41,42)43)25(32)17-28(18)36(38)35-21-12-10-19(30(15-21)51(44,45)46)8-9-20-11-13-22(37(39)40)16-31(20)52(47,48)49;;;/h2-17H,32H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3/b9-8+,34-33+,36-35-;;;

InChIKey

OZPBFJZDBGZJHZ-LTZIPKNCSA-K

Smiles

[N+](=N\c1cc(S(=O)(=O)[O-])c(/C=C/c2c(S(=O)(=O)[O-])cc([N+](=O)[O-])cc2)cc1)(/c1cc(c(/N=N/c2c3c(c(S(=O)(=O)[O-])ccc3)ccc2)cc1C)N)[O-].[Na+].[Na+].[Na+]