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Substance Name: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, potassium sodium salt, compound with 2,2'-iminodiethanol
RN: 85153-94-2
InChIKey: LWKYKJOEQACOAR-MRNRQEKCSA-J

Molecular Formula

  • C40-H44-N12-O16-S4.x-C4-H11-N-O2.x-K.x-Na

Molecular Weight

  • 1302.3999
 
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Names and Synonyms

Synonym

  • EINECS 285-878-5

Systematic Name

  • 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-((3-sulphophenyl)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

  • 85153-94-2

System Generated Number

  • 0085153942

Molecular Formulas

Molecular Formula

  • C40-H44-N12-O16-S4.x-C4-H11-N-O2.x-K.x-Na

Molecular Formula Fragments

  • C4-H11-N-O2
  • C40-H44-N12-O16-S4
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C40H44N12O16S4.C4H11NO2.2K.2Na/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62;6-3-1-5-2-4-7;;;;/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50);5-7H,1-4H2;;;;/q;;4*+1/p-4/b8-7+;;;;;

InChIKey

LWKYKJOEQACOAR-MRNRQEKCSA-J

Smiles

c1cc(cc(c1)S(=O)(=O)[O-])Nc2nc(nc(n2)N(CCO)CCO)Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CCO)CCO)Nc6cccc(c6)S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[K+].[K+]