20080179
  -OEChem-05102403282D

 24 26  0     1  0  0  0  0  0999 V2000
    7.8415   -1.3341    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4663    0.9979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2243   -1.9893    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3992   -1.9503    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2727    0.6251    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1978    1.3505    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -1.4337    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3290    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9426    0.0408    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2014    1.0067    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4648    1.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698   -0.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2278    0.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415   -0.4681    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6003    0.4979    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7849   -1.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344    0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613   -0.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4040    0.4548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5707    1.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    2.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    2.0813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9430   -0.9430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0922    0.1204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
20080179

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
413

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYIEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAgBAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOAAAAAAAAAAAAAAAAAAAAARAAAIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3,4,4,5,5,8,9-octachlorotricyclo[5.2.1.02,6]dec-2(6)-ene

> <PUBCHEM_IUPAC_CAS_NAME>
3,3,4,4,5,5,8,9-octachlorotricyclo[5.2.1.02,6]dec-2(6)-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,3,4,4,5,5,8,9-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-2(6)-ene

> <PUBCHEM_IUPAC_NAME>
3,3,4,4,5,5,8,9-octachlorotricyclo[5.2.1.02,6]dec-2(6)-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3,4,4,5,5,8,9-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-2(6)-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3,4,4,5,5,8,9-octachlorotricyclo[5.2.1.02,6]dec-2(6)-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl8/c11-6-2-1-3(7(6)12)5-4(2)8(13,14)10(17,18)9(5,15)16/h2-3,6-7H,1H2

> <PUBCHEM_IUPAC_INCHIKEY>
AICBAFGUZQAMIR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
409.791872

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
409.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(C(C1C3=C2C(C(C3(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C(C(C1C3=C2C(C(C3(Cl)Cl)(Cl)Cl)(Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
405.797772

> <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>
14  1  3
10  11  3
15  2  3
9  11  3

$$$$