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Substance Name: Sodium 2'-(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)phenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonate
RN: 6359-80-4
InChIKey: CTRCUEJBQJXLOE-LOSWNTLOSA-M

Molecular Formula

  • C31-H22-N6-O4-S3.Na

Molecular Weight

  • 660.7329
 
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Names and Synonyms

Synonym

  • EINECS 228-807-5

Systematic Name

  • Sodium 2'-(4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)phenyl)-6-methyl(2,6'-bibenzothiazole)-7-sulphonate

Registry Numbers

CAS Registry Number

  • 6359-80-4

System Generated Number

  • 0006359804

Molecular Formulas

Molecular Formula

  • C31-H22-N6-O4-S3.Na

Molecular Formula Fragments

  • C31-H22-N6-O4-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H22N6O4S3.Na/c1-17-8-14-24-27(28(17)44(39,40)41)43-30(33-24)20-11-15-23-25(16-20)42-29(32-23)19-9-12-21(13-10-19)34-35-26-18(2)36-37(31(26)38)22-6-4-3-5-7-22;/h3-16,26H,1-2H3,(H,39,40,41);/q;+1/p-1/b35-34+;

InChIKey

CTRCUEJBQJXLOE-LOSWNTLOSA-M

Smiles

Cc1ccc2c(c1S(=O)(=O)[O-])sc(n2)c3ccc4c(c3)sc(n4)c5ccc(cc5)/N=N/C6C(=NN(C6=O)c7ccccc7)C.[Na+]