rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene

CAS Registry Number®

13560-90-2
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CAS Name

rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene

Molecular Formula

C20H12Cl12

Molecular Mass

677.75

Cite this Page

rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=13560-90-2 (retrieved 2024-04-28) (CAS RN: 13560-90-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C20H12Cl12/c21-11-12(22)18(28)10-6(15(11,25)19(18,29)30)2-3-4-1-5(7(3)10)9-8(4)16(26)13(23)14(24)17(9,27)20(16,31)32/h3-10H,1-2H2/t3-,4-,5+,6+,7-,8-,9+,10+,15+,16-,17+,18-/s2

InChIKey

InChIKey=COOHPPAZRZIWHM-GIQMAGCNNA-N

SMILES

Cl[C@]12[C@]3([C@@]4([C@@]5([C@@]6([C@]([C@]([C@@]4(C[C@]3([C@](Cl)([C@]1(Cl)Cl)C(Cl)=C2Cl)[H])[H])(C5)[H])([C@@]7(Cl)[C@](Cl)(Cl)[C@]6(Cl)C(Cl)=C7Cl)[H])[H])[H])[H])[H]

Canonical SMILES

ClC1=C(Cl)C2(Cl)C3C4C(CC3C1(Cl)C2(Cl)Cl)C5CC4C6C5C7(Cl)C(Cl)=C(Cl)C6(Cl)C7(Cl)Cl

Other Names for this Substance

  • 1,4:5,10:6,9-Trimethano-1H-benzo[b]fluorene, 1,2,3,4,6,7,8,9,13,13,14,14-dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-, (1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-rel-
  • 1,4:5,10:6,9-Trimethano-1H-benzo[b]fluorene, 1,2,3,4,6,7,8,9,13,13,14,14-dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-
  • rel-(1R,4S,4aS,4bS,5R,5aR,6R,9S,9aS,10S,10aS,11aR)-1,2,3,4,6,7,8,9,13,13,14,14-Dodecachloro-4,4a,4b,5,5a,6,9,9a,10,10a,11,11a-dodecahydro-1,4:5,10:6,9-trimethano-1H-benzo[b]fluorene
  • Fireshield C 3
  • Dechlorane 601

View All

Deleted or Replaced CAS Registry Numbers

1482458-39-8

CAS INSIGHTSTM
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