Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5-Phenyl-2-(2-((5-phenyl-3-propyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-propylbenzoxazolium iodide
RN: 84455-39-0
InChIKey: YYIXFNLMGAOCNC-UHFFFAOYSA-M

Molecular Formula

  • C37-H37-N2-O2.I

Molecular Weight

  • 668.6113
 
* 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 282-901-0

Systematic Name

  • 5-Phenyl-2-(2-((5-phenyl-3-propyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-propylbenzoxazolium iodide

Registry Numbers

CAS Registry Number

  • 84455-39-0

System Generated Number

  • 0084455390

Molecular Formulas

Molecular Formula

  • C37-H37-N2-O2.I

Molecular Formula Fragments

  • C37-H37-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C37H37N2O2.HI/c1-4-21-38-32-25-30(28-13-9-7-10-14-28)17-19-34(32)40-36(38)23-27(6-3)24-37-39(22-5-2)33-26-31(18-20-35(33)41-37)29-15-11-8-12-16-29;/h7-20,23-26H,4-6,21-22H2,1-3H3;1H/q+1;/p-1

InChIKey

YYIXFNLMGAOCNC-UHFFFAOYSA-M

Smiles

CCC[n+]1c2cc(ccc2oc1/C=C(/CC)\C=C/3\N(c4cc(ccc4O3)c5ccccc5)CCC)c6ccccc6.[I-]