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Substance Name: Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester
RN: 70495-53-3
InChIKey: HYTRFIDPDBBTDK-UQZRIJGTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C55-H83-Cl-O3

Molecular Weight

  • 827.7107
 
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Names and Synonyms

  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl ester

Registry Numbers

CAS Registry Number

  • 70495-53-3

System Generated Number

  • 0070495533

Structure Descriptors

InChI

1S/C55H83ClO3/c1-43(2)21-13-22-44(3)23-14-24-45(4)25-15-26-46(5)27-16-28-47(6)29-17-30-48(7)31-18-32-49(8)33-19-34-50(9)35-20-36-51(10)41-42-58-54(57)55(11,12)59-53-39-37-52(56)38-40-53/h21,23,25,27,29,31,33,35,37-41H,13-20,22,24,26,28,30,32,34,36,42H2,1-12H3/b44-23+,45-25+,46-27+,47-29+,48-31+,49-33+,50-35+,51-41+

InChIKey

HYTRFIDPDBBTDK-UQZRIJGTSA-N

Smiles

CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/COC(=O)C(C)(C)Oc1ccc(cc1)Cl)/C)/C)/C)/C)/C)/C)/C)/C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4199587,