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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-diallyl-
RN: 100347-69-1
InChIKey: AFOPLOLSLKSEAK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-O3

Molecular Weight

  • 258.3152
 
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Names and Synonyms

Synonym

  • 4-Allyloxy-3,5-diallylbenzoic acid

Systematic Name

  • Benzoic acid, 4-(allyloxy)-3,5-diallyl-

Registry Numbers

CAS Registry Number

  • 100347-69-1

System Generated Number

  • 0100347691

Structure Descriptors

InChI

1S/C16H18O3/c1-4-7-12-10-14(16(17)18)11-13(8-5-2)15(12)19-9-6-3/h4-6,10-11H,1-3,7-9H2,(H,17,18)

InChIKey

AFOPLOLSLKSEAK-UHFFFAOYSA-N

Smiles

C=CCc1cc(cc(c1OCC=C)CC=C)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.