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Substance Name: 4,4'-Bis((4-methoxy-6-((2-sulphoethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt, compound with 2,2'-iminodiethanol
RN: 85154-07-0
InChIKey: LTXAVLISBVEICB-XIOYJQOGSA-J

Molecular Formula

  • C26-H30-N10-O14-S4.x-C4-H11-N-O2.x-Na

Molecular Weight

  • 1027.9073
 
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Names and Synonyms

Synonym

  • EINECS 285-889-5

Systematic Names

  • 4,4'-Bis((4-methoxy-6-((2-sulphoethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, sodium salt, compound with 2,2'-iminodiethanol
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-methoxy-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2'-iminobis(ethanol)

Registry Numbers

CAS Registry Number

  • 85154-07-0

System Generated Number

  • 0085154070

Molecular Formulas

Molecular Formula

  • C26-H30-N10-O14-S4.x-C4-H11-N-O2.x-Na

Molecular Formula Fragments

  • C26-H30-N10-O14-S4
  • C4-H11-N-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H30N10O14S4.C4H11NO2.4Na/c1-49-25-33-21(27-9-11-51(37,38)39)31-23(35-25)29-17-7-5-15(19(13-17)53(43,44)45)3-4-16-6-8-18(14-20(16)54(46,47)48)30-24-32-22(34-26(36-24)50-2)28-10-12-52(40,41)42;6-3-1-5-2-4-7;;;;/h3-8,13-14H,9-12H2,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,27,29,31,33,35)(H2,28,30,32,34,36);5-7H,1-4H2;;;;/q;;4*+1/p-4/b4-3+;;;;;

InChIKey

LTXAVLISBVEICB-XIOYJQOGSA-J

Smiles

COc1nc(nc(n1)Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c3ccc(cc3S(=O)(=O)[O-])Nc4nc(nc(n4)OC)NCCS(=O)(=O)[O-])NCCS(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+]