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Substance Name: Aldrex
RN: 8063-66-9
InChIKey: MLUUUIRQGOEOGP-RJBQQULMSA-N

Molecular Formula

  • C12-H8-Cl6.C10-H14-N-O5-P-S

Molecular Weight

  • 656.1758
 
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Names and Synonyms

Results Name

  • Aldrex

Synonym

  • Aldrex

Systematic Names

  • Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester, mixt. with (1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
  • Phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester, mixt. with rel-(1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexahydro-1,4,4a,5,8,8-hexahydro-1,4:5,8-dimethanonaphthalene

Registry Numbers

CAS Registry Number

  • 8063-66-9

System Generated Number

  • 0008063669

Molecular Formulas

Molecular Formula

  • C12-H8-Cl6.C10-H14-N-O5-P-S

Molecular Formula Fragments

  • C10-H14-N-O5-P-S
  • C12-H8-Cl6
  • COMPONENT

Structure Descriptors

InChI

1S/C12H8Cl6.C10H14NO5PS/c13-8-9(14)11(16)3-10(8,15)6-4-1-2-5(7(6)11)12(4,17)18;1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h1-2,4-7H,3H2;5-8H,3-4H2,1-2H3/t4-,5+,6-,7+,10+,11-;

InChIKey

MLUUUIRQGOEOGP-RJBQQULMSA-N

Smiles

CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-].C1[C@@]2([C@@H]3[C@H]4C=C[C@@H]([C@@H]3[C@]1(C(=C2Cl)Cl)Cl)C4(Cl)Cl)Cl