20377074
  -OEChem-05052415132D

 23 24  0     1  0  0  0  0  0999 V2000
    4.9553   -1.1916    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7318    1.7062    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8409    2.7174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8228    2.1296    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1131   -1.6005    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.7379    0.7315    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9924   -2.5431    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7174    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2141   -0.2256    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8414   -0.8177    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4730    0.7403    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7363    1.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    0.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6131   -0.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8719    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4188   -1.7240    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4226   -1.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -0.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    0.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9136   -0.0812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1568   -2.2859    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766   -1.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8237   -1.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
20377074

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
391

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYIAAAAgAAAAAAAAAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_NAME>
1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[1,2-bis(chloranyl)ethyl]-1,2,3,4,7,7-hexakis(chloranyl)bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,4,7,7-hexachloro-5-(1,2-dichloroethyl)bicyclo[2.2.1]hept-2-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H6Cl8/c10-2-4(11)3-1-7(14)5(12)6(13)8(3,15)9(7,16)17/h3-4H,1-2H2

> <PUBCHEM_IUPAC_INCHIKEY>
LIAJOCPBQSUISJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
397.791872

> <PUBCHEM_MOLECULAR_FORMULA>
C9H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
397.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(CCl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(CCl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.797772

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  3
11  12  3
16  7  3
9  12  3

$$$$