Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Hydrogen (4-((4-(bis(3-sulphonatobenzyl)amino)phenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, sodium salt
RN: 5905-37-3
InChIKey: BHLQHSZTZRFXNY-UHFFFAOYSA-N

Molecular Formula

  • C37-H37-N3-O6-S2.Na

Molecular Weight

  • 706.8363
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 227-603-3

Systematic Name

  • Hydrogen (4-((4-(bis(3-sulphonatobenzyl)amino)phenyl)(4-(dimethylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, sodium salt

Registry Numbers

CAS Registry Number

  • 5905-37-3

System Generated Number

  • 0005905373

Molecular Formulas

Molecular Formula

  • C37-H37-N3-O6-S2.Na

Molecular Formula Fragments

  • C37-H37-N3-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H37N3O6S2.Na/c1-38(2)32-19-13-28(14-20-32)36(29-15-21-33(22-16-29)39(3)4)30-17-23-34(24-18-30)40(26-27-9-8-12-35(25-27)47(41,42)43)37(48(44,45)46)31-10-6-5-7-11-31;/h5-25,37H,26H2,1-4H3,(H-,41,42,43,44,45,46);/q;+1

InChIKey

BHLQHSZTZRFXNY-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(Cc4cccc(c4)S(=O)(=O)[O-])C(c5ccccc5)S(=O)(=O)O.[Na+]