12313421
  -OEChem-05132413122D

 24 26  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
    2.5958    0.7265    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  2  0  0  0  0  0  0  0  0  0
    4.2062   -0.0231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9210   -0.3708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1798    0.5951    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    3.2129   -0.0604    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9397   -1.0162    0.0000 C   0  0  0  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
    4.8390   -1.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.7756    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
    2.6044   -0.1795    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
 12  1  1  1  0  0  0
 13  2  1  6  0  0  0
  3 14  1  0  0  0  0
  4 14  1  0  0  0  0
 15  5  1  1  0  0  0
 16  6  1  1  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  1  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 11 21  1  1  0  0  0
 12 14  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 22  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 24  1  0  0  0  0
 18 19  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12313421

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
447

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>,2<I>S</I>,3<I>R</I>,5<I>S</I>,6<I>R</I>,7<I>S</I>)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene

> <PUBCHEM_IUPAC_NAME>
(1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonakis(chloranyl)tricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R,2S,3R,5S,6R,7S)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5?,8+,9-

> <PUBCHEM_IUPAC_INCHIKEY>
OCHOKXCPKDPNQU-FLVMBEMLSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
443.752899

> <PUBCHEM_MOLECULAR_FORMULA>
C10H5Cl9

> <PUBCHEM_MOLECULAR_WEIGHT>
444.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C@@H]12[C@@H]([C@H](C([C@H]1Cl)Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
439.758799

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
6

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
12  1  5
10  20  5
11  21  5
13  2  6
15  5  5
16  6  5

$$$$