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Substance Name: Disodium hydrogen 5-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino)-2-sulphonatophenyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)phenyl)azo)salicylate
RN: 32582-78-8
InChIKey: DSLMAOFDWWGUEI-CWYBRPEOSA-L

Molecular Formula

  • C42-H30-N10-O11-S2.2Na

Molecular Weight

  • 958.8542
 
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Names and Synonyms

Synonym

  • EINECS 251-112-3

Systematic Name

  • Disodium hydrogen 5-((4-((4-((4-((4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino)-2-sulphonatophenyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)phenyl)azo)salicylate

Registry Numbers

CAS Registry Number

  • 32582-78-8

System Generated Number

  • 0032582788

Molecular Formulas

Molecular Formula

  • C42-H30-N10-O11-S2.2Na

Molecular Formula Fragments

  • C42-H30-N10-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C42H30N10O11S2.2Na/c43-36-33(65(61,62)63)20-30(34-35(36)38(55)27-9-5-4-8-26(27)37(34)54)44-24-14-16-29(32(19-24)64(58,59)60)47-42-49-40(45-21-6-2-1-3-7-21)48-41(50-42)46-22-10-12-23(13-11-22)51-52-25-15-17-31(53)28(18-25)39(56)57;;/h1-20,44,53H,43H2,(H,56,57)(H,58,59,60)(H,61,62,63)(H3,45,46,47,48,49,50);;/q;2*+1/p-2/b52-51+;;

InChIKey

DSLMAOFDWWGUEI-CWYBRPEOSA-L

Smiles

c12c(C(=O)c3c(C1=O)cccc3)c(cc(S(=O)(=O)[O-])c2N)Nc1cc(S(=O)(=O)[O-])c(Nc2nc(nc(n2)Nc2ccccc2)Nc2ccc(/N=N/c3cc(C(=O)O)c(cc3)O)cc2)cc1.[Na+].[Na+]