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Substance Name: Benzenesulfonic acid, 5-((4-amino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, ammonium potassium sodium salt, compd. with 2-aminoethanol and 2,2'-iminobis(ethanol)
RN: 85169-36-4
InChIKey: JTSLCLSTZJPHEM-JGMWHDQESA-O

Molecular Formula

  • C26-H32-N12-O9-S2.x-C4-H11-N-O2.x-C2-H7-N-O.x-H3-N.x-K.x-Na

Molecular Weight

  • 967.0916
 
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Names and Synonyms

Synonym

  • EINECS 285-978-9

Systematic Name

  • Benzenesulfonic acid, 5-((4-amino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-amino-6-((2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, ammonium potassium sodium salt, compd. with 2-aminoethanol and 2,2'-iminobis(ethanol)

Registry Numbers

CAS Registry Number

  • 85169-36-4

System Generated Number

  • 0085169364

Molecular Formulas

Molecular Formula

  • C26-H32-N12-O9-S2.x-C4-H11-N-O2.x-C2-H7-N-O.x-H3-N.x-K.x-Na

Molecular Formula Fragments

  • C2-H7-N-O
  • C26-H32-N12-O9-S2
  • C4-H11-N-O2
  • COMPONENT
  • H3-N
  • K
  • Na

Structure Descriptors

InChI

1S/C26H32N12O9S2.C4H11NO2.C2H7NO.K.H3N.Na/c27-21-32-23(29-7-10-39)36-24(33-21)30-17-5-3-15(19(13-17)48(42,43)44)1-2-16-4-6-18(14-20(16)49(45,46)47)31-25-34-22(28)35-26(37-25)38(8-11-40)9-12-41;6-3-1-5-2-4-7;3-1-2-4;;;/h1-6,13-14,39-41H,7-12H2,(H,42,43,44)(H,45,46,47)(H3,28,31,34,35,37)(H4,27,29,30,32,33,36);5-7H,1-4H2;4H,1-3H2;;1H3;/q;;;+1;;+1/p+1/b2-1+;;;;;

InChIKey

JTSLCLSTZJPHEM-JGMWHDQESA-O

Smiles

[NH4+].[Na+].[K+].NCCO.Nc1nc(NCCO)nc(Nc2ccc(\C=C\c3ccc(Nc4nc(N)nc(n4)N(CCO)CCO)cc3S(=O)(=O)O)c(c2)S(=O)(=O)O)n1.OCCNCCO