25091360
  -OEChem-05102422462D

 22 24  0     1  0  0  0  0  0999 V2000
    4.0871   -2.0513    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.6194    0.2835    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7226    2.0513    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8982    2.0513    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2981    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8319    1.2761    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8104   -0.2966    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0014    0.2912    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5066   -1.2404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5007   -1.2412    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6194    0.2912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1987   -0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3104    1.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3104    1.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103   -0.2879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197    0.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -0.7962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3137    0.7908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -1.9280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2185   -1.7933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8876    0.2411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6326   -0.5482    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  6  0  0  0
 11  2  1  1  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  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  6  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 18  1  6  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 19  1  1  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 15 16  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25091360

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
439

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwAAAHAAAAAAAAAAAAAAAAAYIAAAAgAAAAAAAQAAAAAAAAGAIAAAAADQOAAEAAAAAAAACAAABAAAAAAAAgAAAACEAAAggAAAIBAAAAAAAAgAAIAAMAgMAOgAAAAAAAAAAAAAAAAAAAARAACIAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4R,7R,8R,9R)-2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4R,7R,8R,9R)-2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

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

> <PUBCHEM_IUPAC_NAME>
(1S,4R,7R,8R,9R)-2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4R,7R,8R,9R)-2,3,4,5,6,9-hexakis(chloranyl)tricyclo[5.2.1.04,8]deca-2,5-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4R,7R,8R,9R)-2,3,4,5,6,9-hexachlorotricyclo[5.2.1.04,8]deca-2,5-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H6Cl6/c11-5-3-1-2-4(5)10(16,8(14)6(2)12)9(15)7(3)13/h2-5H,1H2/t2-,3+,4-,5-,10-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OSFPUJNCRLXHDW-ZSYWFSLYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
337.857116

> <PUBCHEM_MOLECULAR_FORMULA>
C10H6Cl6

> <PUBCHEM_MOLECULAR_WEIGHT>
338.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C3C(C1C(=C(C3(C(=C2Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]2[C@@H]3[C@@H]([C@H]1C(=C([C@@]3(C(=C2Cl)Cl)Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.860066

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
5

> <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>
10  1  6
11  2  5
7  17  6
8  18  6
9  19  5

$$$$