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Substance Name: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, potassium sodium salt (1:2:2)
RN: 49831-05-2
InChIKey: JZTCJJWQJRZIEV-WPYDVODASA-J

Molecular Formula

  • C44-H52-N12-O16-S4.2K.2Na

Molecular Weight

  • 1253.37
 
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Names and Synonyms

Synonym

  • EINECS 256-498-7

Systematic Names

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, dipotassium disodium salt
  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, potassium sodium salt (1:2:2)
  • Dipotassium disodium 4,4'-bis((4-(bis(2-hydroxypropyl)amino)-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate

Registry Numbers

CAS Registry Number

  • 49831-05-2

System Generated Number

  • 0049831052

Molecular Formulas

Molecular Formula

  • C44-H52-N12-O16-S4.2K.2Na

Molecular Formula Fragments

  • C44-H52-N12-O16-S4
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C44H52N12O16S4.2K.2Na/c1-25(57)21-55(22-26(2)58)43-51-39(45-31-11-15-35(16-12-31)73(61,62)63)49-41(53-43)47-33-9-7-29(37(19-33)75(67,68)69)5-6-30-8-10-34(20-38(30)76(70,71)72)48-42-50-40(46-32-13-17-36(18-14-32)74(64,65)66)52-44(54-42)56(23-27(3)59)24-28(4)60;;;;/h5-20,25-28,57-60H,21-24H2,1-4H3,(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b6-5+;;;;

InChIKey

JZTCJJWQJRZIEV-WPYDVODASA-J

Smiles

[K+].[K+].[Na+].[Na+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(C[C@@H](C)O)C[C@@H](C)O)Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(C[C@@H](C)O)C[C@@H](C)O)Nc1ccc(cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]