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Substance Name: EINECS 306-321-5
RN: 97043-71-5
InChIKey: OWALVSYTHHUECO-KPUQBPQBSA-I

Molecular Formula

  • C29-H23-N3-O20-S6.5Na

Molecular Weight

  • 1035.8082
 
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Names and Synonyms

Results Name

  • EINECS 306-321-5

Synonym

  • EINECS 306-321-5

Systematic Name

  • Pentasodium 2-((1-hydroxy-3,6-disulphonato-8-((3-((2-(sulphonatooxy)ethyl)sulphonyl)benzoyl)amino)-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 97043-71-5

System Generated Number

  • 0097043715

Molecular Formulas

Molecular Formula

  • C29-H23-N3-O20-S6.5Na

Molecular Formula Fragments

  • C29-H23-N3-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H23N3O20S6.5Na/c33-27-25-16(12-18(54(37,38)39)14-22(25)30-29(34)15-3-1-4-17(11-15)53(35,36)10-9-52-58(49,50)51)13-24(56(43,44)45)26(27)32-31-21-8-7-19-20(28(21)57(46,47)48)5-2-6-23(19)55(40,41)42;;;;;/h1-8,11-14,33H,9-10H2,(H,30,34)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;;;/q;5*+1/p-5/b32-31+;;;;;

InChIKey

OWALVSYTHHUECO-KPUQBPQBSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(c1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])=O)O)S(=O)(=O)[O-]