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Substance Name: Methanaminium, N-(4-((3,4-bis(sulfomethyl)phenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt (1:1)
RN: 72797-23-0
InChIKey: GZQSKPXUETXTIX-UHFFFAOYSA-N

Molecular Formula

  • C25-H28-N2-O6-S2.Na

Molecular Weight

  • 539.6262
 
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Names and Synonyms

Synonym

  • 4-((4-(Dimethylamino)phenyl)(3,4-bis(sulfomethyl)phenyl)methylidene)-2,5-cyclohexadiene-1-dimethyliminium, hydroxide, inner salt, sodium salt

Systematic Names

  • Methanaminium, N-(4-((3,4-bis(sulfomethyl)phenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt
  • Methanaminium, N-(4-((3,4-bis(sulfomethyl)phenyl)(4-(dimethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt (1:1)

Registry Numbers

CAS Registry Number

  • 72797-23-0

System Generated Number

  • 0072797230

Molecular Formulas

Molecular Formula

  • C25-H28-N2-O6-S2.Na

Molecular Formula Fragments

  • C25-H28-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H28N2O6S2.Na/c1-26(2)23-11-7-18(8-12-23)25(19-9-13-24(14-10-19)27(3)4)20-5-6-21(16-34(28,29)30)22(15-20)17-35(31,32)33;/h5-15H,16-17H2,1-4H3,(H-,28,29,30,31,32,33);/q;+1

InChIKey

GZQSKPXUETXTIX-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(c(c3)CS(=O)(=O)O)CS(=O)(=O)[O-].[Na+]