5284458
  -OEChem-05102420522D

 26 27  0     1  0  0  0  0  0999 V2000
    4.4375   -1.5864    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2140    1.3114    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7186    2.1941    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4490   -1.6973    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5145   -2.1941    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    0.6018    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4636    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6964   -0.6205    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0953   -1.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    0.3455    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2186    1.3281    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3236   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9816   -0.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3541   -0.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0088   -1.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908   -2.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    0.3366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7360    1.6696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7567   -2.1024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5752   -1.7882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2610   -0.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3742   -2.0590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260   -2.7404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6074   -2.1886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7571    0.0266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    0.9566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  6  0  0  0
 10  2  1  6  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 14 17  2  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5284458

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
413

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAIAAAAADgOAAMACAAAAAACAAgBCAAAAAAAgAAAAAEAAAggAAAIBAAAAAAAAgAAAAAEAgMAPgAAAAAAAAAAIACRAASIACRAASIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,4S)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylene-norbornane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,4S)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,4<I>S</I>)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
(1S,4S)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylidenebicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,4S)-1,2,2,3,3,4,7-heptakis(chloranyl)-5,5-dimethyl-6-methylidene-bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,4S)-1,2,2,3,3,4,7-heptachloro-5,5-dimethyl-6-methylene-norbornane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9Cl7/c1-4-6(2,3)8(13)5(11)7(4,12)9(14,15)10(8,16)17/h5H,1H2,2-3H3/t5?,7-,8+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HBQPGVWPSQGTJK-AKHXFSBVSA-N

> <PUBCHEM_XLOGP3_AA>
5.1

> <PUBCHEM_EXACT_MASS>
375.849444

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9Cl7

> <PUBCHEM_MOLECULAR_WEIGHT>
377.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(C(=C)C2(C(C1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(C(=C)[C@@]2(C([C@@]1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.852394

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
8  1  6
10  2  6
11  3  3

$$$$