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Substance Name: Benzoic acid, 4-(allyloxy)-3,5-diallyl-, ethyl ester
RN: 100347-70-4
InChIKey: RHCXZHIHKVYLHB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H22-O3

Molecular Weight

  • 286.3688
 
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Names and Synonyms

Synonym

  • 4-Allyloxy-3,5-diallylbenzoic acid ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100347-70-4

System Generated Number

  • 0100347704

Structure Descriptors

InChI

1S/C18H22O3/c1-5-9-14-12-16(18(19)20-8-4)13-15(10-6-2)17(14)21-11-7-3/h5-7,12-13H,1-3,8-11H2,4H3

InChIKey

RHCXZHIHKVYLHB-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc(c(c(c1)CC=C)OCC=C)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 770mg/kg (770mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.