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Substance Name: Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-, iodide (1:1)
RN: 5217-54-9
InChIKey: RKHTYMDCAAQJBN-UHFFFAOYSA-M

Molecular Formula

  • C21-H21-N2-O2.I

Molecular Weight

  • 460.309
 
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Names and Synonyms

Synonym

  • EINECS 226-011-2

Systematic Names

  • 2-(4-(Acetylphenylamino)buta-1,3-dienyl)-3-ethylbenzoxazolium iodide
  • Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadien-1-yl)-3-ethyl-, iodide (1:1)
  • Benzoxazolium, 2-(4-(acetylphenylamino)-1,3-butadienyl)-3-ethyl-, iodide

Registry Numbers

CAS Registry Number

  • 5217-54-9

System Generated Number

  • 0005217549

Molecular Formulas

Molecular Formula

  • C21-H21-N2-O2.I

Molecular Formula Fragments

  • C21-H21-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H21N2O2.HI/c1-3-22-19-13-7-8-14-20(19)25-21(22)15-9-10-16-23(17(2)24)18-11-5-4-6-12-18;/h4-16H,3H2,1-2H3;1H/q+1;/p-1

InChIKey

RKHTYMDCAAQJBN-UHFFFAOYSA-M

Smiles

c1ccc2[n+](CC)c(oc2c1)\C=C\C=C\N(c1ccccc1)C(=O)C.[IH-]