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Substance Name: Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, inner salt, sodium salt (1:1)
RN: 16470-45-4
InChIKey: OSCPLDUCTDFYNQ-UHFFFAOYSA-M

Molecular Formula

  • C33-H32-N2-O6-S4.Na

Molecular Weight

  • 702.87
 
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Names and Synonyms

Synonyms

  • Anhydro-4,5,4',5'-dibenzo-9-ethyl-3,3'-bis(gamma-sulfopropyl)-2,2'-thiacarbocyanine hydroxide, sodium salt
  • EINECS 240-525-4

Systematic Names

  • Hydrogen -1-(3-sulphonatopropyl)-2-(2-((1-(3-sulphonatopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)naphtho(1,2-d)thiazolium, sodium salt
  • Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-buten-1-yl)-, inner salt, sodium salt (1:1)
  • Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-(2-((1-(3-sulfopropyl)naphtho(1,2-d)thiazol-2(1H)-ylidene)methyl)-1-butenyl)-, inner salt, sodium salt

Registry Numbers

CAS Registry Number

  • 16470-45-4

System Generated Number

  • 0016470454

Molecular Formulas

Molecular Formula

  • C33-H32-N2-O6-S4.Na

Molecular Formula Fragments

  • C33-H32-N2-O6-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H32N2O6S4.Na/c1-2-23(21-30-34(17-7-19-44(36,37)38)32-26-11-5-3-9-24(26)13-15-28(32)42-30)22-31-35(18-8-20-45(39,40)41)33-27-12-6-4-10-25(27)14-16-29(33)43-31;/h3-6,9-16,21-22H,2,7-8,17-20H2,1H3,(H-,36,37,38,39,40,41);/q;+1/p-1

InChIKey

OSCPLDUCTDFYNQ-UHFFFAOYSA-M

Smiles

[Na+].s1c([n+](c2c1ccc1ccccc21)CCCS(=O)(=O)[O-])\C=C(\CC)\C=C1/Sc2c(N1CCCS(=O)(=O)[O-])c1ccccc1cc2