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Substance Name: Hydrogen 6-nitro-2-((6-nitro-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)-3-(3-sulphonatopropyl)benzothiazolium, sodium salt
RN: 35497-48-4
InChIKey: WNBXUUDXLOSHSG-UHFFFAOYSA-M

Molecular Formula

  • C21-H20-N4-O10-S4.Na

Molecular Weight

  • 638.6531
 
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Names and Synonyms

Synonym

  • EINECS 252-593-2

Systematic Name

  • Hydrogen 6-nitro-2-((6-nitro-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)-3-(3-sulphonatopropyl)benzothiazolium, sodium salt

Registry Numbers

CAS Registry Number

  • 35497-48-4

System Generated Number

  • 0035497484

Molecular Formulas

Molecular Formula

  • C21-H20-N4-O10-S4.Na

Molecular Formula Fragments

  • C21-H20-N4-O10-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H20N4O10S4.Na/c26-24(27)14-3-5-16-18(11-14)36-20(22(16)7-1-9-38(30,31)32)13-21-23(8-2-10-39(33,34)35)17-6-4-15(25(28)29)12-19(17)37-21;/h3-6,11-13H,1-2,7-10H2,(H-,30,31,32,33,34,35);/q;+1/p-1

InChIKey

WNBXUUDXLOSHSG-UHFFFAOYSA-M

Smiles

[n+]1(c(/C=c2\n(c3c(s2)cc([N+](=O)[O-])cc3)CCCS(=O)(=O)[O-])sc2c1ccc([N+](=O)[O-])c2)CCCS(=O)(=O)[O-].[Na+]