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Substance Name: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(phenylethynyl)phenyl)-4-propyl-
RN: 108613-93-0
InChIKey: NAJAUVRXYGFKHF-UHFFFAOYSA-N

Classification Codes

  • Acaricide
  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C22-H22-O3

Molecular Weight

  • 334.4128
 
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Names and Synonyms

Synonyms

  • 1-(4-(2-Phenylethynyl)phenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane
  • 1-(4-(Phenylethynyl)phenyl)-4-propyl-2,6,7-trioxabicyclo(2.2.2)octane

Systematic Name

  • 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-(phenylethynyl)phenyl)-4-propyl-

Registry Numbers

CAS Registry Number

  • 108613-93-0

System Generated Number

  • 0108613930

Structure Descriptors

InChI

1S/C22H22O3/c1-2-14-21-15-23-22(24-16-21,25-17-21)20-12-10-19(11-13-20)9-8-18-6-4-3-5-7-18/h3-7,10-13H,2,14-17H2,1H3

InChIKey

NAJAUVRXYGFKHF-UHFFFAOYSA-N

Smiles

CCCC12COC(OC1)(OC2)c3ccc(cc3)C#Cc4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #5057508,