21721724
  -OEChem-05032421532D

 24 26  0     1  0  0  0  0  0999 V2000
    4.7225   -1.2528    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4989    1.6450    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8802   -1.6617    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5051    0.6703    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6086   -0.8789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2666    0.0608    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9813   -0.2868    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2401    0.6791    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5035    1.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237   -1.4888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2732    0.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3802   -0.7957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6390    0.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993   -1.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9758    0.8596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8213    2.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    1.7536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244   -1.9632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2534   -1.9357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3152    0.6421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6624    0.1303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251   -0.7002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088   -1.4796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  8  2  1  6  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  1  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 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 14  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21721724

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
307

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHAAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQKAAAAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(1R,2R,6S,7S)-1,7,8,9-tetrachlorotricyclo[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>)-1,7,8,9-tetrachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-ene

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H10Cl4/c11-7-8(12)10(14)4-9(7,13)5-2-1-3-6(5)10/h5-6H,1-4H2/t5-,6+,9-,10+

> <PUBCHEM_IUPAC_INCHIKEY>
WXWGDKLKCFHOPP-YUMGAWCOSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
271.950711

> <PUBCHEM_MOLECULAR_FORMULA>
C10H10Cl4

> <PUBCHEM_MOLECULAR_WEIGHT>
272.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2C(C1)C3(CC2(C(=C3Cl)Cl)Cl)Cl

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.953661

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
7  1  5
8  2  6
5  15  5
6  16  5

$$$$