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Substance Name: EINECS 275-867-3
RN: 71701-19-4
InChIKey: UVHCGJRQTNCABI-UHFFFAOYSA-L

Molecular Formula

  • C37-H36-N2-O9-S3.K.Na

Molecular Weight

  • 808.967
 
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Names and Synonyms

Results Name

  • EINECS 275-867-3

Synonyms

  • EINECS 275-867-3
  • N-Ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cydohexadien-1-ylidene)-3-sulfobenzenemethanaminium hydroxide, inner salt, potassium, sodium salt

Systematic Names

  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, potassium sodium salt
  • Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, potassium sodium salt (1:1:1)
  • Dihydrogen (ethyl)(4-(alpha-(4-(ethyl(3-sulphonatobenzyl)amino)phenyl)-2-sulphonatobenzylidene)cyclohexa-2,5-dien-1-ylidene)(3-sulphonatobenzyl)ammonium, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 71701-19-4

Related Registry Number

  • 25305-78-6 (Parent)

System Generated Number

  • 0071701194

Molecular Formulas

Molecular Formula

  • C37-H36-N2-O9-S3.K.Na

Molecular Formula Fragments

  • C37-H36-N2-O9-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C37H36N2O9S3.K.Na/c1-3-38(25-27-9-7-11-33(23-27)49(40,41)42)31-19-15-29(16-20-31)37(35-13-5-6-14-36(35)51(46,47)48)30-17-21-32(22-18-30)39(4-2)26-28-10-8-12-34(24-28)50(43,44)45;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2

InChIKey

UVHCGJRQTNCABI-UHFFFAOYSA-L

Smiles

[K+].[Na+].c1(cc(ccc1)S(=O)(=O)[O-])C\[N+](=C1\C=C\C(C=C1)=C(\c1c(cccc1)S(=O)(=O)[O-])c1ccc(cc1)N(Cc1cc(ccc1)S(=O)(=O)[O-])CC)CC