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Substance Name: EINECS 279-080-6
RN: 79135-80-1
InChIKey: TZEBJHPUOJWOMO-VCQDZDCISA-K

Molecular Formula

  • C37-H29-N11-O12-S4.3Na

Molecular Weight

  • 1013.9114
 
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Names and Synonyms

Results Name

  • EINECS 279-080-6

Synonym

  • EINECS 279-080-6

Systematic Names

  • 2-Naphthalenesulfonic acid, 7-((4-((3-(aminosulfonyl)phenyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfo-4-((4-sulfophenyl)azo)phenyl)azo)-, trisodium salt
  • Trisodium 7-((4-((3-(aminosulphonyl)phenyl)amino)-6-anilino-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulphonato-4-((4-sulphonatophenyl)azo)phenyl)azo)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 79135-80-1

System Generated Number

  • 0079135801

Molecular Formulas

Molecular Formula

  • C37-H29-N11-O12-S4.3Na

Molecular Formula Fragments

  • C37-H29-N11-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H29N11O12S4.3Na/c38-61(50,51)28-8-4-7-24(19-28)40-36-42-35(39-22-5-2-1-3-6-22)43-37(44-36)41-25-11-15-29-21(17-25)18-32(64(58,59)60)33(34(29)49)48-47-30-16-12-26(20-31(30)63(55,56)57)46-45-23-9-13-27(14-10-23)62(52,53)54;;;/h1-20,49H,(H2,38,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H3,39,40,41,42,43,44);;;/q;3*+1/p-3/b46-45+,48-47+;;;

InChIKey

TZEBJHPUOJWOMO-VCQDZDCISA-K

Smiles

c1ccc(cc1)Nc2nc(nc(n2)Nc3ccc4c(c3)cc(c(c4O)/N=N/c5ccc(cc5S(=O)(=O)[O-])/N=N/c6ccc(cc6)S(=O)(=O)[O-])S(=O)(=O)[O-])Nc7cccc(c7)S(=O)(=O)N.[Na+].[Na+].[Na+]