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Substance Name: EINECS 249-324-6
RN: 28950-63-2
InChIKey: MLTSEYBWAHDHGZ-SSXBCGQJSA-H

Molecular Formula

  • C44-H36-N12-O18-S6.6Na

Molecular Weight

  • 1345.123
 
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Names and Synonyms

Results Name

  • EINECS 249-324-6

Synonym

  • EINECS 249-324-6

Systematic Name

  • Hexasodium 4,4'-bis((4,6-bis(m-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 28950-63-2

System Generated Number

  • 0028950632

Molecular Formulas

Molecular Formula

  • C44-H36-N12-O18-S6.6Na

Molecular Formula Fragments

  • C44-H36-N12-O18-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C44H36N12O18S6.6Na/c57-75(58,59)33-9-1-5-27(19-33)45-39-51-40(46-28-6-2-10-34(20-28)76(60,61)62)54-43(53-39)49-31-17-15-25(37(23-31)79(69,70)71)13-14-26-16-18-32(24-38(26)80(72,73)74)50-44-55-41(47-29-7-3-11-35(21-29)77(63,64)65)52-42(56-44)48-30-8-4-12-36(22-30)78(66,67)68;;;;;;/h1-24H,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;;;;;/q;6*+1/p-6/b14-13+;;;;;;

InChIKey

MLTSEYBWAHDHGZ-SSXBCGQJSA-H

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cccc(Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(Nc4ccc(\C=C\c5ccc(Nc6nc(Nc7cccc(c7)S(=O)(=O)[O-])nc(Nc8cccc(c8)S(=O)(=O)[O-])n6)cc5S(=O)(=O)[O-])c(c4)S(=O)(=O)[O-])n2)c1