633007
  -OEChem-05211305542D

 24 26  0     1  0  0  0  0  0999 V2000
    5.9141   -1.0797    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7997    2.8293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7816    2.2415    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.9800   -2.8293    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2248    0.2109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9457    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5049   -1.7386    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.1297    0.5933    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4409   -1.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9409   -0.2477    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1730   -0.1138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4318    0.8522    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.6952    1.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7738   -1.8508    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9691   -0.4569    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -1.4457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0049   -0.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2637    0.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -1.7750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6784    0.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9530    1.5236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1125   -2.3848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1759   -0.7626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101   -2.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  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 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  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  0  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
 12 21  1  0  0  0  0
 14 16  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  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>
633007

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHgAAAAAAAAAAAAAAAAYMEAAAgAAAAAAAYAAAAAAAAGAIAAAAADQOAAMAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl8/c11-4-1-2(5(12)7(4)14)9(16)8(15)6(13)3(1)10(9,17)18/h1-5,7H

> <PUBCHEM_IUPAC_INCHIKEY>
UCLSMRUQRKTEHR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
409.791871

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
409.77864

> <PUBCHEM_OPENEYE_CAN_SMILES>
C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2C3(Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2C3(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>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
7

> <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  3
10  20  3
12  21  3
14  22  3
15  23  3
16  24  3
9  19  3

$$$$