5284469
  -OEChem-05211303562D

 26 27  0     1  0  0  0  0  0999 V2000
    4.9392   -1.3574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    1.5404    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8066    1.9638    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8247    2.5516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2071   -2.3574    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2666    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0480   -2.5516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0118   -2.5516    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1980   -0.3915    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0299   -1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4568    0.5744    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7202    1.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4659   -1.3915    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9659   -0.5255    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2888   -0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9435   -1.5570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254   -2.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1548    0.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9578   -1.7689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9182    0.0927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0754   -2.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5439   -2.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5620   -1.6003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0935   -0.9555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6917    0.0056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1548    0.9356    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 13  1  0  0  0  0
  6 14  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 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 18  2  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 18 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5284469

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
403

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHgAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAIAAAAADgOAAMAAAAAAAACAAgBCAAAAAAAgAAAAAEAAAggAAAIBAAAAAAAAgAAAAAEAgMAPgAAAAAAAAAAIACRAASIACRAASIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylene-norbornane

> <PUBCHEM_IUPAC_CAS_NAME>
1,4,5,6,7,7-hexachloro-3,3-bis(chloromethyl)-2-methylenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
1,4,5,6,7,7-hexachloro-3,3-bis(chloromethyl)-2-methylidenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,4,5,6,7,7-hexakis(chloranyl)-3,3-bis(chloromethyl)-2-methylidene-bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,4,5,6,7,7-hexachloro-2,2-bis(chloromethyl)-3-methylene-norbornane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2

> <PUBCHEM_IUPAC_INCHIKEY>
OEJNXTAZZBRGDN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.7

> <PUBCHEM_EXACT_MASS>
411.807522

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
411.79452

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.813422

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
9  1  3
11  2  3
13  5  3
14  6  3

$$$$