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Substance Name: Pentasodium 4-hydroxy-7-((4-(2-(4-nitro-2-sulphonatophenyl)vinyl)-3-sulphonatophenyl)azo)-3-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate
RN: 94713-29-8
InChIKey: IKNXORXTGQVNPP-IXNOGURFSA-I

Molecular Formula

  • C36-H25-N7-O18-S5.5Na

Molecular Weight

  • 1113.865
 
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Names and Synonyms

Synonym

  • EINECS 305-573-3

Systematic Name

  • Pentasodium 4-hydroxy-7-((4-(2-(4-nitro-2-sulphonatophenyl)vinyl)-3-sulphonatophenyl)azo)-3-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 94713-29-8

System Generated Number

  • 0094713298

Molecular Formulas

Molecular Formula

  • C36-H25-N7-O18-S5.5Na

Molecular Formula Fragments

  • C36-H25-N7-O18-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H25N7O18S5.5Na/c44-36-29-13-8-24(38-40-25-5-3-20(31(17-25)63(50,51)52)1-2-21-4-10-27(43(45)46)19-32(21)64(53,54)55)15-22(29)16-34(66(59,60)61)35(36)42-41-30-14-9-26(18-33(30)65(56,57)58)39-37-23-6-11-28(12-7-23)62(47,48)49;;;;;/h1-19,44H,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61);;;;;/q;5*+1/p-5/b2-1+,39-37+,40-38+,42-41+;;;;;

InChIKey

IKNXORXTGQVNPP-IXNOGURFSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1c(c(c(c2ccc(cc12)\N=N\c1cc(c(cc1)\C=C\c1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)\N=N\c1c(cc(cc1)\N=N\c1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]