44134380
  -OEChem-05231308442D

 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
    6.6906    1.8181    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
    2.0000   -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  2  0  0  0  0  0  0  0  0  0
    3.9409   -0.2477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1730   -0.1138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4318    0.8522    0.0000 C   0  0  2  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  2  0  0  0  0  0  0  0  0  0
    2.9691   -0.4569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4457    0.0000 C   0  0  1  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
    4.8659   -1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5159    0.4884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2915   -2.2403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.1595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3491   -0.4578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8982   -2.0648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  6  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  1  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  1  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 20  1  1  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>
44134380

> <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_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-BMNWGQGISA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
409.791871

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
409.77864

> <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  6
10  20  5
12  2  6
14  5  5
16  6  6
9  19  5

$$$$