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Substance Name: 3(2H)-Benzoxazolepropanesulfonic acid, 2-(2-(3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)ethylidene)-, sodium salt (1:1)
RN: 34328-00-2
InChIKey: CMKGDUPYPXXDAC-JJQRAXEFSA-M

Molecular Formula

  • C23-H23-N3-O6-S2.Na

Molecular Weight

  • 523.5638
 
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Names and Synonyms

  • 3(2H)-Benzoxazolepropanesulfonic acid, 2-((3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)ethylidene)-, monosodium salt
  • 3(2H)-Benzoxazolepropanesulfonic acid, 2-(2-(3-(2-hydroxyethyl)-5-oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)ethylidene)-, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 34328-00-2

System Generated Number

  • 0034328002

Molecular Formulas

Molecular Formula

  • C23-H23-N3-O6-S2.Na

Molecular Formula Fragments

  • C23-H23-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H23N3O6S2.Na/c27-15-14-25-19(22(28)26(23(25)33)17-7-2-1-3-8-17)11-12-21-24(13-6-16-34(29,30)31)18-9-4-5-10-20(18)32-21;/h1-5,7-12,27H,6,13-16H2,(H,29,30,31);/q;+1/p-1/b19-11+,21-12+;

InChIKey

CMKGDUPYPXXDAC-JJQRAXEFSA-M

Smiles

N1(C(=S)N(C(=C\C=c2/n(c3c(o2)cccc3)CCCS(=O)(=O)[O-])\C1=O)CCO)c1ccccc1.[Na+]