57503811
  -OEChem-05082400072D

 24 26  0     1  0  0  0  0  0999 V2000
    2.6707   -1.9544    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2031   -1.4569    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2509   -2.1462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0363    0.2049    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6500    2.1462    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5259    0.9274    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7519    0.3931    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5622   -0.2016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7532    0.3862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3713    0.3862    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2585   -1.1454    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2526   -1.1462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9505   -0.2002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622    1.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622    1.3372    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3716    0.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5622   -0.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9723   -0.3924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2512    0.7499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9609    0.1946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1270    1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4558    1.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808    1.8896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  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 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 18  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>
57503811

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
455

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYMAAAAgAAAAAAAQAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.0<SUP>4,8</SUP>]dec-2-ene

> <PUBCHEM_IUPAC_NAME>
1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,5,9,9,10,10-octakis(chloranyl)tricyclo[5.2.1.04,8]dec-2-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,5,9,9,10,10-octachlorotricyclo[5.2.1.04,8]dec-2-ene

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

> <PUBCHEM_IUPAC_INCHIKEY>
JAPYTFFIWMLAJQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.3

> <PUBCHEM_EXACT_MASS>
409.791872

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
409.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C3C(C1Cl)C(=C(C(C2(Cl)Cl)(C3(Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C3C(C1Cl)C(=C(C(C2(Cl)Cl)(C3(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>
5

> <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  17  3
12  13  3
16  6  3
9  13  3

$$$$