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Substance Name: Sodium 2-(hexadecyloxy)-5-(7-((1-phenyl-1H-tetrazol-5-yl)thio)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)benzenesulphonate
RN: 66209-67-4
InChIKey: PBEBYNCXTMVYLQ-UHFFFAOYSA-M

Molecular Formula

  • C33-H44-N8-O4-S3.Na

Molecular Weight

  • 734.9427
 
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Names and Synonyms

Synonym

  • EINECS 266-238-4

Systematic Name

  • Sodium 2-(hexadecyloxy)-5-(7-((1-phenyl-1H-tetrazol-5-yl)thio)-7H-1,2,4-triazolo(3,4-b)(1,3,4)thiadiazin-6-yl)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 66209-67-4

System Generated Number

  • 0066209674

Molecular Formulas

Molecular Formula

  • C33-H44-N8-O4-S3.Na

Molecular Formula Fragments

  • C33-H44-N8-O4-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H44N8O4S3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-45-28-22-21-26(24-29(28)48(42,43)44)30-31(46-32-35-34-25-40(32)37-30)47-33-36-38-39-41(33)27-19-16-15-17-20-27;/h15-17,19-22,24-25,31H,2-14,18,23H2,1H3,(H,42,43,44);/q;+1/p-1

InChIKey

PBEBYNCXTMVYLQ-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCCOc1ccc(cc1S(=O)(=O)[O-])C2=Nn3cnnc3SC2Sc4nnnn4c5ccccc5.[Na+]