rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol

CAS Registry Number®

3106-29-4
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CAS Name

rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol

Molecular Formula

C12H10Cl6O2

Molecular Mass

398.92

Cite this Page

rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3106-29-4 (retrieved 2024-05-04) (CAS RN: 3106-29-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C12H10Cl6O2/c13-8-9(14)11(16)5-3-1-2(6(19)7(3)20)4(5)10(8,15)12(11,17)18/h2-7,19-20H,1H2/t2-,3+,4+,5-,6-,7-,10+,11-/s2

InChIKey

InChIKey=NWRDBJRTQVHAKR-ZPSILLCSNA-N

SMILES

Cl[C@]12C(Cl)(Cl)[C@](Cl)([C@@]3([C@]1([C@]4([C@H](O)[C@@H](O)[C@@]3(C4)[H])[H])[H])[H])C(Cl)=C2Cl

Canonical SMILES

ClC1=C(Cl)C2(Cl)C3C4CC(C(O)C4O)C3C1(Cl)C2(Cl)Cl

Other Names for this Substance

  • 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-, (1R,2S,3S,4S,4aR,5R,8S,8aS)-rel-
  • 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-, stereoisomer
  • 1,4:5,8-Dimethanonaphthalene-2,3-diol, 5,6,7,8,9,9-hexachloro-1,2,3,4,4a,5,8,8a-octahydro-, (1α,2α,3β,4α,4aβ,5α,8α,8aβ)-
  • rel-(1R,2S,3S,4S,4aR,5R,8S,8aS)-5,6,7,8,9,9-Hexachloro-1,2,3,4,4a,5,8,8a-octahydro-1,4:5,8-dimethanonaphthalene-2,3-diol
  • 6,7-trans-Dihydroxydihydroaldrin

View All

Deleted or Replaced CAS Registry Numbers

37909-19-6

CAS INSIGHTSTM
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