5993
 OpenBabel05082101102D

 24 26  0  0  1  0  0  0  0  0999 V2000
    5.6622   -1.3367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    1.5610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5477    2.5723    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5296    1.9845    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7965   -2.5723    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3582    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8199   -1.7456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4448    0.5863    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -0.9628    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2062   -0.0231    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9210   -0.3708    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1798    0.5951    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4432    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633   -1.5728    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2129   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -1.0162    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3199   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5787    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8638   -1.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1010    0.5879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2207   -1.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2549    0.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021    0.0464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -1.6316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
5993

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
459

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

>  <PUBCHEM_IUPAC_CAS_NAME>
1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene

>  <PUBCHEM_IUPAC_NAME>
1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3,4,7,8,9,10,10-octakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

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

>  <PUBCHEM_IUPAC_INCHIKEY>
BIWJNBZANLAXMG-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
4.9

>  <PUBCHEM_EXACT_MASS>
409.791872

>  <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

>  <PUBCHEM_MOLECULAR_WEIGHT>
409.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(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>
6

>  <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  15  3
11  13  3
12  13  3
14  5  3
16  6  3
9  14  3

$$$$
