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Substance Name: Disodium 6-methyl-2'-(4-((4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl)azo)phenyl)(2,6'-bibenzothiazole)-7-sulphonate
RN: 83721-50-0
InChIKey: NOUMQKJCTQAWFR-ZZMWOFSUSA-L

Molecular Formula

  • C35-H23-N5-O6-S5.2Na

Molecular Weight

  • 813.8899
 
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Names and Synonyms

Synonym

  • EINECS 280-577-5

Systematic Name

  • Disodium 6-methyl-2'-(4-((4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl)azo)phenyl)(2,6'-bibenzothiazole)-7-sulphonate

Registry Numbers

CAS Registry Number

  • 83721-50-0

System Generated Number

  • 0083721500

Molecular Formulas

Molecular Formula

  • C35-H23-N5-O6-S5.2Na

Molecular Formula Fragments

  • C35-H23-N5-O6-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H23N5O6S5.2Na/c1-18-3-14-26-29(31(18)50(41,42)43)48-34(37-26)21-7-12-24(13-8-21)40-39-23-10-5-20(6-11-23)33-36-25-16-9-22(17-28(25)47-33)35-38-27-15-4-19(2)32(30(27)49-35)51(44,45)46;;/h3-17H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b40-39+;;

InChIKey

NOUMQKJCTQAWFR-ZZMWOFSUSA-L

Smiles

Cc1ccc2c(c1S(=O)(=O)[O-])sc(n2)c3ccc(cc3)/N=N/c4ccc(cc4)c5nc6ccc(cc6s5)c7nc8ccc(c(c8s7)S(=O)(=O)[O-])C.[Na+].[Na+]