12303038
  -OEChem-04192401352D

 24 26  0     1  0  0  0  0  0999 V2000
    4.9326   -1.3367    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1561    1.5610    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0470    2.5723    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    1.9845    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7982   -2.5723    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5947   -1.3582    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7748   -1.7456    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1499    0.5863    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0464   -0.9628    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3884   -0.0231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6737   -0.3708    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4149    0.5951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1515    1.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314   -1.5728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3818   -0.0604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550   -1.0162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2748   -0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7557   -1.7616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6792    0.7756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3740   -1.8727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3398    0.5582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9926    0.0464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7308   -1.6316    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
 14  5  1  6  0  0  0
 16  6  1  6  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  6  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  6  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>
12303038

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2S,3R,4S,6S,7R)-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/t2-,3-,4-,5-,8+,9-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BIWJNBZANLAXMG-IQEDOFJGSA-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>
C1[C@H]2[C@@H]([C@H]([C@H]1Cl)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>
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>
11  1  5
10  20  6
12  2  6
14  5  6
16  6  6
9  19  6

$$$$