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Substance Name: Disodium 2-(4-((1-(((2-methoxy-5-methyl-4-sulphonatophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate
RN: 72705-26-1
InChIKey: ADKFZTIPPMZAKW-NFOZGECASA-L

Molecular Formula

  • C26-H24-N4-O9-S3.2Na

Molecular Weight

  • 676.6568
 
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Names and Synonyms

Synonym

  • EINECS 276-771-4

Systematic Names

  • 7-Benzothiazolesulfonic acid, 2-(4-((1-(((2-methoxy-5-methyl-4-sulfophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methyl-, disodium salt
  • Disodium 2-(4-((1-(((2-methoxy-5-methyl-4-sulphonatophenyl)amino)carbonyl)-2-oxopropyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonate

Registry Numbers

CAS Registry Number

  • 72705-26-1

System Generated Number

  • 0072705261

Molecular Formulas

Molecular Formula

  • C26-H24-N4-O9-S3.2Na

Molecular Formula Fragments

  • C26-H24-N4-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H24N4O9S3.2Na/c1-13-5-10-18-23(24(13)42(36,37)38)40-26(28-18)16-6-8-17(9-7-16)29-30-22(15(3)31)25(32)27-19-11-14(2)21(41(33,34)35)12-20(19)39-4;;/h5-12,22H,1-4H3,(H,27,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b30-29+;;

InChIKey

ADKFZTIPPMZAKW-NFOZGECASA-L

Smiles

Cc1ccc2c(c1S(=O)(=O)[O-])sc(n2)c3ccc(cc3)/N=N/C(C(=O)C)C(=O)Nc4cc(c(cc4OC)S(=O)(=O)[O-])C.[Na+].[Na+]