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Substance Name: 4,4-Bis((4,6-bis(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, potassium sodium salt, compound with 2,2'-iminodiethanol
RN: 85187-72-0
InChIKey: XPTUPMHEPQOLPW-FWMLTEASSA-L

Molecular Formula

  • C36-H52-N12-O14-S2.x-C4-H11-N-O2.x-K.x-Na

Molecular Weight

  • 1108.2327
 
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Names and Synonyms

Synonym

  • EINECS 286-159-9

Systematic Name

  • 4,4-Bis((4,6-bis(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, potassium sodium salt, compound with 2,2'-iminodiethanol

Registry Numbers

CAS Registry Number

  • 85187-72-0

System Generated Number

  • 0085187720

Molecular Formulas

Molecular Formula

  • C36-H52-N12-O14-S2.x-C4-H11-N-O2.x-K.x-Na

Molecular Formula Fragments

  • C36-H52-N12-O14-S2
  • C4-H11-N-O2
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C36H54N12O14S2.C4H11NO2.K.Na/c49-17-9-45(10-18-50)32-37-30(38-33(41-32)46(11-19-51)12-20-52)43-36(44-31-39-34(47(13-21-53)14-22-54)42-35(40-31)48(15-23-55)16-24-56)8-7-27(29(25-36)64(60,61)62)6-5-26-3-1-2-4-28(26)63(57,58)59;6-3-1-5-2-4-7;;/h1-7,25,49-56H,8-24H2,(H,57,58,59)(H,60,61,62)(H,37,38,41,43)(H,39,40,42,44);5-7H,1-4H2;;/q;;2*+1/p-2/b6-5+;;;

InChIKey

XPTUPMHEPQOLPW-FWMLTEASSA-L

Smiles

c1ccc(c(c1)/C=C/C2=CCC(C=C2S(=O)(=O)[O-])(Nc3nc(nc(n3)N(CCO)CCO)N(CCO)CCO)Nc4nc(nc(n4)N(CCO)CCO)N(CCO)CCO)S(=O)(=O)[O-].C(CO)NCCO.[Na+].[K+]