Marvin  08100717152D          

 17 19  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -1.6501    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    0.8249    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8252    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4991    0.6674    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7126    1.4643    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7144    0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4125    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2375    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
 10 13  1  0  0  0  0
 12 13  1  0  0  0  0
 12  6  1  0  0  0  0
 13 14  1  0  0  0  0
 14  4  1  0  0  0  0
  1 14  1  0  0  0  0
  1  5  1  0  0  0  0
 12  2  1  0  0  0  0
  2  7  1  0  0  0  0
  3  1  1  0  0  0  0
  2  3  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  0  0  0  0
  1 16  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <ID>
CHEBI:34785

> <NAME>
heptachlor

> <DEFINITION>
A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.

> <STAR>
3

> <SYNONYM>
Heptamul; Heptachlorane; Heptachlor; 3-chlorochlordene; 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene; 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene

> <IUPAC_NAME>
1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene

> <FORMULA>
C10H5Cl7

> <MASS>
373.31560

> <MONOISOTOPIC_MASS>
369.82109

> <CHARGE>
0

> <SMILES>
ClC1C=CC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl

> <INCHI>
InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H

> <INCHIKEY>
FRCCEHPWNOQAEU-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2058523

> <CAS_REGISTRY_NUMBER>
76-44-8

> <REAXYS_REGISTRY_NUMBER>
2058523

> <CHEMIDPLUS>
76-44-8

> <KEGG_COMPOUND_ACCESSION>
C14185

> <NIST_CHEMISTRY_WEBBOOK>
76-44-8

> <WIKIPEDIA_ACCESSION>
Heptachlor

> <PUBMED_CITATION>
24177859; 24577234

$$$$