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Substance Name: Benzoselenazolium, 3-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-, inner salt, sodium salt (1:1)
RN: 55425-27-9
InChIKey: HIIYMRMTISVVGM-UHFFFAOYSA-M

Molecular Formula

  • C21-H22-N2-O6-S2-Se2.Na

Molecular Weight

  • 642.4469
 
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Names and Synonyms

Synonym

  • 3-(3-Sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)benzoselenazolium, hydroxide, inner salt, sodium salt

Systematic Names

  • Benzoselenazolium, 3-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-, inner salt, sodium salt
  • Benzoselenazolium, 3-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene)methyl)-, inner salt, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 55425-27-9

System Generated Number

  • 0055425279

Molecular Formulas

Molecular Formula

  • C21-H22-N2-O6-S2-Se2.Na

Molecular Formula Fragments

  • C21-H22-N2-O6-S2-Se2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H22N2O6S2Se2.Na/c24-30(25,26)13-5-11-22-16-7-1-3-9-18(16)32-20(22)15-21-23(12-6-14-31(27,28)29)17-8-2-4-10-19(17)33-21;/h1-4,7-10,15H,5-6,11-14H2,(H-,24,25,26,27,28,29);/q;+1/p-1

InChIKey

HIIYMRMTISVVGM-UHFFFAOYSA-M

Smiles

c1ccc2c(c1)[n+](c([se]2)/C=C/3\N(c4ccccc4[Se]3)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+]