71312615
  -OEChem-04252422572D

 24 26  0     1  0  0  0  0  0999 V2000
    5.6837   -1.7002    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4602    1.1975    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5693    2.2088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5512    1.6210    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4021   -2.2088    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8415   -2.1092    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4663    0.2228    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5698   -1.3263    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2278   -0.3866    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9426   -0.7343    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2014    0.2316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4648    1.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849   -1.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2344   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9613   -1.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415   -1.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6003   -0.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854   -1.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1226    0.2244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857   -2.4107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2147   -2.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2764    0.1947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6237   -0.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
 12  2  1  6  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5 16  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
 14 22  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  0  0  0  0
 15 24  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71312615

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
431

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQKAAIAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,7S)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,7S)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,7<I>S</I>)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene

> <PUBCHEM_IUPAC_NAME>
(1R,7S)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,7S)-1,4,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl8/c11-5-6(12)9(16)4-2-7(13,14)1-3(4)8(5,15)10(9,17)18/h3-4H,1-2H2/t3?,4?,8-,9+

> <PUBCHEM_IUPAC_INCHIKEY>
JBZJEPYXXVKOKF-BATNPBMPSA-N

> <PUBCHEM_XLOGP3>
5.7

> <PUBCHEM_EXACT_MASS>
409.791872

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
409.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(CC1(Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C(CC1(Cl)Cl)[C@@]3(C(=C([C@]2(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>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
11  1  5
10  15  3
12  2  6
9  14  3

$$$$