Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(4-sulfobutyl)-, inner salt
RN: 23368-58-3
InChIKey: PNBPXAZPFGEQNX-UHFFFAOYSA-N

Molecular Formula

  • C39-H40-N2-O8-S2

Molecular Weight

  • 728.883
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 5-Phenyl-2-(2-((5-phenyl-3-(sulfobutyl)-2-benzoxazolinylidene)methyl-1-butenyl)-3-(4-sulfobutyl)benzoxazolium hydroxide, inner salt
  • EINECS 245-616-2

Systematic Names

  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(4-sulfobutyl)-, inner salt
  • Benzoxazolium, 5-phenyl-2-(2-((5-phenyl-3-(4-sulfobutyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(4-sulfobutyl)-, inner salt
  • Hydrogen 5-phenyl-2-(2-((5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(4-sulphonatobutyl)benzoxazolium

Registry Numbers

CAS Registry Number

  • 23368-58-3

Other Registry Numbers

  • 1232134-62-1
  • 55526-91-5

System Generated Number

  • 0023368583

Structure Descriptors

InChI

1S/C39H40N2O8S2/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47)

InChIKey

PNBPXAZPFGEQNX-UHFFFAOYSA-N

Smiles

c12N(CCCCS(=O)(=O)O)\C(Oc1ccc(c1ccccc1)c2)=C/C(=C\c1[n+](c2c(o1)ccc(c1ccccc1)c2)CCCCS(=O)(=O)[O-])CC