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Substance Name: EINECS 235-830-4
RN: 13000-39-0
InChIKey: GIIFZDMQWSRMKA-IALQXBNOSA-I

Molecular Formula

  • C30-H20-N4-O16-S5.5Na

Molecular Weight

  • 962.7405
 
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Names and Synonyms

Results Name

  • EINECS 235-830-4

Synonym

  • EINECS 235-830-4

Systematic Name

  • Pentasodium 4-((4-((3,6-disulphonato-1-naphthyl)azo)-7-sulphonato-1-naphthyl)azo)-3-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 13000-39-0

System Generated Number

  • 0013000390

Molecular Formulas

Molecular Formula

  • C30-H20-N4-O16-S5.5Na

Molecular Formula Fragments

  • C30-H20-N4-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H20N4O16S5.5Na/c35-30-28(55(48,49)50)12-16-10-18(52(39,40)41)2-5-22(16)29(30)34-32-26-8-7-25(23-6-3-19(13-24(23)26)53(42,43)44)31-33-27-14-20(54(45,46)47)11-15-9-17(51(36,37)38)1-4-21(15)27;;;;;/h1-14,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;5*+1/p-5/b33-31+,34-32+;;;;;

InChIKey

GIIFZDMQWSRMKA-IALQXBNOSA-I

Smiles

c1cc2c(cc1S(=O)(=O)[O-])cc(cc2/N=N/c3ccc(c4c3ccc(c4)S(=O)(=O)[O-])/N=N/c5c6ccc(cc6cc(c5O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]