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Substance Name: EINECS 245-651-3
RN: 23422-12-0
InChIKey: ROHGQIQUQCTSOK-UHFFFAOYSA-K

Molecular Formula

  • C29-H20-Cl-N7-O11-S3.3Na

Molecular Weight

  • 840.112
 
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Names and Synonyms

Results Name

  • EINECS 245-651-3

Synonym

  • EINECS 245-651-3

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt
  • Trisodium 1-amino-4-(3-((4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)-4-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 23422-12-0

Related Registry Number

  • 16823-51-1 (Parent)

System Generated Number

  • 0023422120

Molecular Formulas

Molecular Formula

  • C29-H20-Cl-N7-O11-S3.3Na

Molecular Formula Fragments

  • C29-H20-Cl-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3

InChIKey

ROHGQIQUQCTSOK-UHFFFAOYSA-K

Smiles

S(c1cc(ccc1)Nc1nc(Nc2cc(Nc3c4c(C(c5c(cccc5)C4=O)=O)c(c(S(=O)(=O)[O-])c3)N)ccc2S(=O)(=O)[O-])nc(n1)Cl)(=O)(=O)[O-].[Na+].[Na+].[Na+]