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Substance Name: Disodium 2-((6-((6-anilino-4-(4-sulphamoylphenyl)-1,3,5-triazin-2-yl)amino)-2-naphthyl)azo)-5-((4-sulphonatophenyl)azo)benzenesulphonate
RN: 93982-55-9
InChIKey: XMVJTZYIJLZZEH-PSCQSACFSA-L

Molecular Formula

  • C37-H28-N10-O8-S3.2Na

Molecular Weight

  • 880.8524
 
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Names and Synonyms

Synonym

  • EINECS 301-243-8

Systematic Name

  • Disodium 2-((6-((6-anilino-4-(4-sulphamoylphenyl)-1,3,5-triazin-2-yl)amino)-2-naphthyl)azo)-5-((4-sulphonatophenyl)azo)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 93982-55-9

System Generated Number

  • 0093982559

Molecular Formulas

Molecular Formula

  • C37-H28-N10-O8-S3.2Na

Molecular Formula Fragments

  • C37-H28-N10-O8-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H28N10O8S3.2Na/c38-56(48,49)31-15-8-23(9-16-31)35-41-36(39-26-4-2-1-3-5-26)43-37(42-35)40-28-10-6-25-21-29(11-7-24(25)20-28)46-47-33-19-14-30(22-34(33)58(53,54)55)45-44-27-12-17-32(18-13-27)57(50,51)52;;/h1-22H,(H2,38,48,49)(H,50,51,52)(H,53,54,55)(H2,39,40,41,42,43);;/q;2*+1/p-2/b45-44+,47-46+;;

InChIKey

XMVJTZYIJLZZEH-PSCQSACFSA-L

Smiles

S(=O)(=O)(c1c(/N=N/c2cc3c(cc(Nc4nc(nc(n4)Nc4ccccc4)c4ccc(S(=O)(=O)N)cc4)cc3)cc2)ccc(c1)/N=N/c1ccc(S(=O)(=O)[O-])cc1)[O-].[Na+].[Na+]