12423543
  -OEChem-05122406482D

 24 26  0     1  0  0  0  0  0999 V2000
    4.7225   -1.6858    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4989    1.2120    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    2.0947    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -2.0947    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5051    0.2372    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   -1.3119    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2666   -0.3722    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9813   -0.7199    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2401    0.2461    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5035    1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -1.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732   -0.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -1.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390   -0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993   -2.1106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    0.4266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0209    1.5702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -2.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -2.3687    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624   -0.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251   -1.1332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   -1.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  1  0  0  0
  9  2  1  6  0  0  0
  3 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  1  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 17  1  1  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  0  0  0  0
 10 18  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
12423543

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
333

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHAAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAEAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9Cl5/c11-6-7(12)10(15)5-3-1-2-4(5)9(6,14)8(10)13/h4-5,8H,1-3H2/t4-,5+,8?,9-,10+

> <PUBCHEM_IUPAC_INCHIKEY>
ZDCUMNFKBZRQCZ-CUAQMAQDSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
305.911739

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9Cl5

> <PUBCHEM_MOLECULAR_WEIGHT>
306.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(C1)C3(C(C2(C(=C3Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@@H]2[C@H](C1)[C@]3(C([C@@]2(C(=C3Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.914689

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
8  1  5
9  2  6
6  16  5
7  17  5

$$$$