12767891
  -OEChem-05102403362D

 24 26  0     1  0  0  0  0  0999 V2000
    5.6622   -1.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4386    1.1477    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5477    2.1590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5296    1.5712    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7715    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8199   -2.1590    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4448    0.1730    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5483   -1.3761    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2062   -0.4364    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9210   -0.7841    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1798    0.1818    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4432    1.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7633   -1.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2129   -0.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9397   -1.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3199   -1.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5787   -0.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8390   -2.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.3623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641   -2.4605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931   -2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2549    0.1449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021   -0.3669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8639   -2.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  1  0  0  0
 11  2  1  6  0  0  0
  3 12  1  0  0  0  0
  4 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  1  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 19  1  1  0  0  0
 10 12  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 13 15  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12767891

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
394

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHAAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H7Cl7/c11-3-1-4-5(2-3)9(15)7(13)6(12)8(4,14)10(9,16)17/h3-5H,1-2H2/t3?,4-,5+,8-,9+

> <PUBCHEM_IUPAC_INCHIKEY>
CLTVIMPCWMHKFX-QTXMIJDDSA-N

> <PUBCHEM_XLOGP3>
5.2

> <PUBCHEM_EXACT_MASS>
373.833794

> <PUBCHEM_MOLECULAR_FORMULA>
C10H7Cl7

> <PUBCHEM_MOLECULAR_WEIGHT>
375.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(CC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]2[C@H](CC1Cl)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
371.836744

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
10  1  5
11  2  6
8  18  5
9  19  5

$$$$