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Substance Name: Benzoic acid, 2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy)-, 1-methylethyl ester, mixt with 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione
RN: 74725-95-4
InChIKey: OWMVJPNBKLYFCG-UHFFFAOYSA-N

Molecular Formula

  • C15-H24-N-O4-P-S.C9-H8-Cl3-N-O2-S

Molecular Weight

  • 645.99
 
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Names and Synonyms

Synonym

  • Oftanol C

Systematic Name

  • Benzoic acid, 2-((ethoxy((1-methylethyl)amino)phosphinothioyl)oxy)-, 1-methylethyl ester, mixt with 3a,4,7,7a-tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione

Registry Numbers

CAS Registry Number

  • 74725-95-4

System Generated Number

  • 0074725954

Molecular Formulas

Molecular Formula

  • C15-H24-N-O4-P-S.C9-H8-Cl3-N-O2-S

Molecular Formula Fragments

  • C15-H24-N-O4-P-S
  • C9-H8-Cl3-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C15H24NO4PS.C9H8Cl3NO2S/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5;10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h7-12H,6H2,1-5H3,(H,16,22);1-2,5-6H,3-4H2

InChIKey

OWMVJPNBKLYFCG-UHFFFAOYSA-N

Smiles

C1(N(SC(Cl)(Cl)Cl)C([C@@H]2CC=CC[C@@H]12)=O)=O.c1(c(O[P@@](NC(C)C)(OCC)=S)cccc1)C(OC(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 100mg/kg (100mg/kg)   Archives of Toxicology. Vol. 54, Pg. 275, 1983.