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Substance Name: Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-methoxy-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, sodium salt (1:3)
RN: 86271-35-4
InChIKey: RWNCUIRSKYUSPP-FHJHGPAASA-K

Molecular Formula

  • C28-H34-N10-O13-S3.3Na

Molecular Weight

  • 880.7779
 
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Names and Synonyms

Synonym

  • Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)-5-((4-bis(2-hydroxyethyl)amino-6-methoxy-1,3,5-triazin-2-yl)amino)-5'-((6-methoxy-4-(2-sulfoethyl)amino-1,3,5-triazin-2-yl)amino)bis-, trisodium salt

Systematic Names

  • Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-methoxy-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, sodium salt (1:3)
  • Benzenesulfonic acid, 5-((4-(bis(2-hydroxyethyl)amino)-6-methoxy-1,3,5-triazin-2-yl)amino)-2-(2-(4-((4-methoxy-6-((2-sulfoethyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)ethenyl)-, trisodium salt

Registry Numbers

CAS Registry Number

  • 86271-35-4

Other Registry Number

  • 109973-86-6

System Generated Number

  • 0086271354

Molecular Formulas

Molecular Formula

  • C28-H34-N10-O13-S3.3Na

Molecular Formula Fragments

  • C28-H34-N10-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H34N10O13S3.3Na/c1-50-27-34-23(29-9-14-52(41,42)43)32-24(35-27)30-19-7-5-17(21(15-19)53(44,45)46)3-4-18-6-8-20(16-22(18)54(47,48)49)31-25-33-26(37-28(36-25)51-2)38(10-12-39)11-13-40;;;/h3-8,15-16,39-40H,9-14H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,31,33,36,37)(H2,29,30,32,34,35);;;/q;3*+1/p-3/b4-3+;;;

InChIKey

RWNCUIRSKYUSPP-FHJHGPAASA-K

Smiles

S(=O)(=O)(c1cc(Nc2nc(nc(n2)OC)N(CCO)CCO)ccc1/C=C/c1c(S(=O)(=O)[O-])cc(Nc2nc(nc(n2)OC)NCCS(=O)(=O)[O-])cc1)[O-].[Na+].[Na+].[Na+]