Molecule ID: 12310947

IUPAC Name: (1S,2S,3S,6R,7R,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene

Description: The molecule is an organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. It has a role as a persistent organic pollutant and a proinsecticide. It is an organochlorine insecticide and an organochlorine compound.

SMILES: ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H]([C@@H]4C=C[C@H]3C4)[C@@]1(Cl)C2(Cl)Cl

SELFIES: [Cl][C][=C][Branch1][C][Cl][C@][Branch1][C][Cl][C@H1][C@H1][Branch1][#Branch2][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C@@][Ring1][=N][Branch1][C][Cl][C][Ring1][N][Branch1][C][Cl][Cl]

InChI: InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10+,11-

Molecular Properties:
- Polar Surface Area: 0.0 Ų
- LogP: 4.5