21724137
  -OEChem-05201309382D

 22 24  0     1  0  0  0  0  0999 V2000
    5.5171   -1.9156    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0171    0.6825    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5439   -1.0154    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7674    1.8823    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2629    2.7650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4780   -2.7650    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9531   -1.6744    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.3283    0.6576    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2332    0.2751    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4580   -1.8814    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0171   -1.0495    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5171   -0.1835    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2851   -0.0495    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0263    0.9164    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7629    1.8990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6842   -1.7865    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4531   -0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1943    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4890   -0.3927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5920   -1.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454    2.2406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1666   -2.1761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11  1  1  1  0  0  0
 12  2  1  1  0  0  0
 13  3  1  1  0  0  0
 14  4  1  6  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 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 21  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21724137

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
597

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBwAAAHgAAAAAAAAAAAAAAAAYIEAAAgAAAAAAAQAAAAAAAAGAIAAAAADAOAAEAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAASIACAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H2Cl10/c11-1-2(12)9(19)7(17)4(14)5(15)8(18,6(7)16)10(9,20)3(1)13/h2,6H/t2?,6?,7-,8+,9-,10+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
XXPQLZVLRSOLER-KMOKIIACSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
475.698277

> <PUBCHEM_MOLECULAR_FORMULA>
C10H2Cl10

> <PUBCHEM_MOLECULAR_WEIGHT>
476.65288

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(C(=C([C@@]2([C@]1([C@]3(C([C@@]2(C(=C3Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
471.704177

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  5
12  2  5
13  3  5
14  4  6
15  5  3
16  6  3

$$$$