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Substance Name: (2,6'-Bibenzothiazole)-7-sulfonic acid, 6-methyl-2'-(4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)phenyl)-, sodium salt (1:1)
RN: 10190-69-9
InChIKey: UOCPPEFICVBBME-XPPFCZECSA-M

Molecular Formula

  • C31-H23-N5-O5-S3.Na

Molecular Weight

  • 663.733
 
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Names and Synonyms

Synonym

  • EINECS 233-462-9

Systematic Names

  • (2,6'-Bibenzothiazole)-7-sulfonic acid, 6-methyl-2'-(4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)phenyl)-, monosodium salt
  • (2,6'-Bibenzothiazole)-7-sulfonic acid, 6-methyl-2'-(4-(2-(2-oxo-1-((phenylamino)carbonyl)propyl)diazenyl)phenyl)-, sodium salt (1:1)
  • Sodium 6-methyl-2'-(4-((2-oxo-1-((phenylamino)carbonyl)propyl)azo)phenyl)(2,6'-bibenzothiazole)-7-sulphonate

Registry Numbers

CAS Registry Number

  • 10190-69-9

System Generated Number

  • 0010190699

Molecular Formulas

Molecular Formula

  • C31-H23-N5-O5-S3.Na

Molecular Formula Fragments

  • C31-H23-N5-O5-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H23N5O5S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-31(34-24)20-11-15-23-25(16-20)42-30(33-23)19-9-12-22(13-10-19)35-36-26(18(2)37)29(38)32-21-6-4-3-5-7-21;/h3-16,26H,1-2H3,(H,32,38)(H,39,40,41);/q;+1/p-1/b36-35-;

InChIKey

UOCPPEFICVBBME-XPPFCZECSA-M

Smiles

c12nc(c3cc4sc(c5ccc(\N=N/[C@@H](C(=O)C)C(=O)Nc6ccccc6)cc5)nc4cc3)sc1c(S(=O)(=O)[O-])c(C)cc2.[Na+]