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Substance Name: Ethanaminium, N-(4-((3,4-bis(sulfomethyl)phenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt (1:1)
RN: 68516-63-2
InChIKey: BDIHWSFSKPEOIW-UHFFFAOYSA-M

Molecular Formula

  • C29-H36-N2-O6-S2.Na

Molecular Weight

  • 594.726
 
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Names and Synonyms

Synonym

  • EINECS 271-168-2

Systematic Names

  • Ethanaminium, N-(4-((3,4-bis(sulfomethyl)phenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt
  • Ethanaminium, N-(4-((3,4-bis(sulfomethyl)phenyl)(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-ethyl-, inner salt, sodium salt (1:1)
  • Hydrogen (4-(4-(diethylamino)-3',4'-bis(sulphonatomethyl)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)diethylammonium, monosodium salt

Registry Numbers

CAS Registry Number

  • 68516-63-2

System Generated Number

  • 0068516632

Molecular Formulas

Molecular Formula

  • C29-H36-N2-O6-S2.Na

Molecular Formula Fragments

  • C29-H36-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H36N2O6S2.Na/c1-5-30(6-2)27-15-11-22(12-16-27)29(23-13-17-28(18-14-23)31(7-3)8-4)24-9-10-25(20-38(32,33)34)26(19-24)21-39(35,36)37;/h9-19H,5-8,20-21H2,1-4H3,(H-,32,33,34,35,36,37);/q;+1/p-1

InChIKey

BDIHWSFSKPEOIW-UHFFFAOYSA-M

Smiles

C1(=C(/c2ccc(N(CC)CC)cc2)c2cc(CS(=O)(=O)[O-])c(CS(=O)(=O)[O-])cc2)\C=C\C(=[N+](\CC)CC)C=C1.[Na+]