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Substance Name: Benzoic acid, 2-hydroxy-5-(2-(5-methyl-4-(2-(4-nitro-2-sulfophenyl)diazenyl)-2-(3-sulfopropoxy)phenyl)diazenyl)-, sodium salt (1:3)
RN: 74186-17-7
InChIKey: PGODFFBQDSMUKZ-CTGUAEQESA-K

Molecular Formula

  • C23-H21-N5-O12-S2.3Na

Molecular Weight

  • 689.52
 
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Names and Synonyms

Synonym

  • EINECS 277-753-9

Systematic Names

  • Benzoic acid, 2-hydroxy-5-((5-methyl-4-((4-nitro-2-sulfophenyl)azo)-2-(3-sulfopropoxy)phenyl)azo)-, trisodium salt
  • Benzoic acid, 2-hydroxy-5-(2-(5-methyl-4-(2-(4-nitro-2-sulfophenyl)diazenyl)-2-(3-sulfopropoxy)phenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 5-((5-methyl-4-((4-nitro-2-sulphonatophenyl)azo)-2-(3-sulphonatopropoxy)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 74186-17-7

System Generated Number

  • 0074186177

Molecular Formulas

Molecular Formula

  • C23-H21-N5-O12-S2.3Na

Molecular Formula Fragments

  • C23-H21-N5-O12-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H21N5O12S2.3Na/c1-13-9-19(27-24-14-3-6-20(29)16(10-14)23(30)31)21(40-7-2-8-41(34,35)36)12-18(13)26-25-17-5-4-15(28(32)33)11-22(17)42(37,38)39;;;/h3-6,9-12,29H,2,7-8H2,1H3,(H,30,31)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b26-25+,27-24+;;;

InChIKey

PGODFFBQDSMUKZ-CTGUAEQESA-K

Smiles

[Na+].[Na+].[Na+].C(c1c(ccc(c1)\N=N\c1c(cc(c(c1)C)\N=N\c1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)[O-])OCCCS(=O)(=O)[O-])O)(=O)[O-]