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Substance Name: Benzenesulfonic acid, 3-((((3-heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino)carbonyl)amino)-, sodium salt (1:1)
RN: 23455-89-2
InChIKey: CPOQUTNRVYYLIM-UHFFFAOYSA-M

Molecular Formula

  • C26-H43-N5-O4-S2.Na

Molecular Weight

  • 575.771
 
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Names and Synonyms

Synonym

  • EINECS 245-671-2

Systematic Names

  • Benzenesulfonic acid, 3-((((3-heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino)carbonyl)amino)-, monosodium salt
  • Benzenesulfonic acid, 3-((((3-heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino)carbonyl)amino)-, sodium salt (1:1)
  • Sodium 3-((((1,5-dihydro-3-heptadecyl-5-thioxo-4H-1,2,4-triazol-4-yl)amino)carbonyl)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 23455-89-2

System Generated Number

  • 0023455892

Molecular Formulas

Molecular Formula

  • C26-H43-N5-O4-S2.Na

Molecular Formula Fragments

  • C26-H43-N5-O4-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H43N5O4S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-28-29-26(36)31(24)30-25(32)27-22-18-17-19-23(21-22)37(33,34)35;/h17-19,21H,2-16,20H2,1H3,(H,29,36)(H2,27,30,32)(H,33,34,35);/q;+1/p-1

InChIKey

CPOQUTNRVYYLIM-UHFFFAOYSA-M

Smiles

N(C(=O)Nc1cccc(S(=O)(=O)[O-])c1)n1c(n[nH]c1=S)CCCCCCCCCCCCCCCCC.[Na+]