Marvin  08060712012D          

 12 12  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  1  0  0  0
  6  8  1  6  0  0  0
  1  9  1  1  0  0  0
  2 10  1  6  0  0  0
  4 11  1  1  0  0  0
  5 12  1  1  0  0  0
M  END
> <ID>
CHEBI:32888

> <NAME>
gamma-hexachlorocyclohexane

> <STAR>
3

> <SECONDARY_ID>
CHEBI:24184; CHEBI:6473; CHEBI:10567

> <SYNONYM>
Lindane; Lindan; Kwell; gamma-lindane; gamma-Hexachlorzyklohexan; gamma-Hexachlorocyclohexane; gamma-hexachlorocyclohexane; Gamma-hexachlorocyclohexane; gamma-Hexachlorocyclohexane; gamma-HCH; gamma-HCH; gamma-BHC; gamma-BHC; gamma-benzene hexachloride; gamma-1,2,3,4,5,6-hexachlorocyclohexane; Benzene hexachloride; 1,2,3,4,5,6-Hexachlorocyclohexane; (1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane; (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane

> <IUPAC_NAME>
(1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane

> <FORMULA>
C6H6Cl6

> <MASS>
290.82804

> <MONOISOTOPIC_MASS>
287.86007

> <CHARGE>
0

> <SMILES>
Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl

> <INCHI>
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+

> <INCHIKEY>
JLYXXMFPNIAWKQ-GNIYUCBRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1907337

> <CAS_REGISTRY_NUMBER>
58-89-9

> <GMELIN_REGISTRY_NUMBER>
2179629

> <CHEMIDPLUS>
58-89-9

> <DRUGBANK_ACCESSION>
DB00431

> <KEGG_COMPOUND_ACCESSION>
C06595

> <KEGG_DRUG_ACCESSION>
D00360

> <NIST_CHEMISTRY_WEBBOOK>
58-89-9

> <WIKIPEDIA_ACCESSION>
Lindane

$$$$