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Substance Name: 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with2,2'-iminodiethanol (1:4)
RN: 94088-39-8
InChIKey: QUDSKSXXNMTKDF-YZNHWISSSA-N

Molecular Formula

  • C36-H36-N12-O14-S4.4C4-H11-N-O2

Molecular Weight

  • 1409.558
 
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Names and Synonyms

Synonym

  • EINECS 302-039-1

Systematic Name

  • 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, compound with2,2'-iminodiethanol (1:4)

Registry Numbers

CAS Registry Number

  • 94088-39-8

System Generated Number

  • 0094088398

Molecular Formulas

Molecular Formula

  • C36-H36-N12-O14-S4.4C4-H11-N-O2

Molecular Formula Fragments

  • C36-H36-N12-O14-S4
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C36H36N12O14S4.4C4H11NO2/c49-15-13-37-31-43-33(39-23-3-1-5-27(17-23)63(51,52)53)47-35(45-31)41-25-11-9-21(29(19-25)65(57,58)59)7-8-22-10-12-26(20-30(22)66(60,61)62)42-36-46-32(38-14-16-50)44-34(48-36)40-24-4-2-6-28(18-24)64(54,55)56;4*6-3-1-5-2-4-7/h1-12,17-20,49-50H,13-16H2,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);4*5-7H,1-4H2/b8-7+;;;;

InChIKey

QUDSKSXXNMTKDF-YZNHWISSSA-N

Smiles

N(CCO)CCO.C(=C\c1c(cc(cc1)Nc1nc(nc(n1)NCCO)Nc1cc(ccc1)S(=O)(=O)O)S(=O)(=O)O)/c1c(cc(cc1)Nc1nc(nc(n1)NCCO)Nc1cc(ccc1)S(=O)(=O)O)S(=O)(=O)O.N(CCO)CCO.N(CCO)CCO.N(CCO)CCO