21724137
  -OEChem-05132415232D

 22 24  0     1  0  0  0  0  0999 V2000
    5.2666   -1.8383    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2926    0.9808    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4947   -1.2725    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7182    1.6253    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2137    2.5080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3603   -2.5080    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3369   -1.6814    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7121    0.6505    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5610    0.7908    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1568   -1.2940    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6086   -0.8986    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9506    0.0411    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2359   -0.3066    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9771    0.6594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7137    1.6420    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3935   -1.5086    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8369   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5781    0.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9440    0.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2172   -0.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1962    1.9835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8322   -1.7718    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_OPENEYE_NAME>
(1S,2R,6S,7R)-1,2,3,4,5,6,7,8,9,10-decachlorotricyclo[5.2.1.02,6]deca-3,8-diene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,2R,6S,7R)-1,2,3,4,5,6,7,8,9,10-decachlorotricyclo[5.2.1.02,6]deca-3,8-diene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,2<I>R</I>,6<I>S</I>,7<I>R</I>)-1,2,3,4,5,6,7,8,9,10-decachlorotricyclo[5.2.1.0<SUP>2,6</SUP>]deca-3,8-diene

> <PUBCHEM_IUPAC_NAME>
(1S,2R,6S,7R)-1,2,3,4,5,6,7,8,9,10-decachlorotricyclo[5.2.1.02,6]deca-3,8-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,2R,6S,7R)-1,2,3,4,5,6,7,8,9,10-decakis(chloranyl)tricyclo[5.2.1.02,6]deca-3,8-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,2R,6S,7R)-1,2,3,4,5,6,7,8,9,10-decachlorotricyclo[5.2.1.02,6]deca-3,8-diene

> <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>
476.6

> <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

$$$$