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Substance Name: Disodium 4,4'-bis((4,6-bis(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate
RN: 3654-78-2
InChIKey: JASSZWULUSJCFH-SEPHDYHBSA-L

Molecular Formula

  • C36-H52-N12-O14-S2.2Na

Molecular Weight

  • 984.973
 
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Names and Synonyms

Synonym

  • EINECS 222-898-5

Systematic Name

  • Disodium 4,4'-bis((4,6-bis(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 3654-78-2

System Generated Number

  • 0003654782

Molecular Formulas

Molecular Formula

  • C36-H52-N12-O14-S2.2Na

Molecular Formula Fragments

  • C36-H52-N12-O14-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H52N12O14S2.2Na/c49-15-7-45(8-16-50)33-39-31(40-34(43-33)46(9-17-51)10-18-52)37-27-5-3-25(29(23-27)63(57,58)59)1-2-26-4-6-28(24-30(26)64(60,61)62)38-32-41-35(47(11-19-53)12-20-54)44-36(42-32)48(13-21-55)14-22-56;;/h1-6,23-24,49-56H,7-22H2,(H,57,58,59)(H,60,61,62)(H,37,39,40,43)(H,38,41,42,44);;/q;2*+1/p-2/b2-1+;;

InChIKey

JASSZWULUSJCFH-SEPHDYHBSA-L

Smiles

c1cc(c(cc1Nc2nc(nc(n2)N(CCO)CCO)N(CCO)CCO)S(=O)(=O)[O-])/C=C/c3ccc(cc3S(=O)(=O)[O-])Nc4nc(nc(n4)N(CCO)CCO)N(CCO)CCO.[Na+].[Na+]