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Substance Name: Sodium 2-(4-((2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate
RN: 55067-12-4
InChIKey: FCFYFUFGQKWGGB-BTKVJIOYSA-M

Molecular Formula

  • C19-H13-N7-O5-S2.Na

Molecular Weight

  • 505.4698
 
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Names and Synonyms

Synonym

  • EINECS 259-468-1

Systematic Name

  • Sodium 2-(4-((2-(cyanoimino)hexahydro-4,6-dioxopyrimidin-5-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate

Registry Numbers

CAS Registry Number

  • 55067-12-4

System Generated Number

  • 0055067124

Molecular Formulas

Molecular Formula

  • C19-H13-N7-O5-S2.Na

Molecular Formula Fragments

  • C19-H13-N7-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H13N7O5S2.Na/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28;/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28);/q;+1/p-1/b26-25+;

InChIKey

FCFYFUFGQKWGGB-BTKVJIOYSA-M

Smiles

Cc1ccc2c(c1S(=O)(=O)[O-])sc(n2)c3ccc(cc3)/N=N/C4C(=O)NC(=NC#N)NC4=O.[Na+]