50935423
  -OEChem-04242421412D

 26 27  0     1  0  0  0  0  0999 V2000
    2.9010   -1.5218    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1333    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    1.1988    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1134   -1.9336    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8178   -0.3513    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0772   -1.9336    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    1.9336    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6964   -0.0235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0953   -0.5323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9552    0.9424    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2186    1.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3236   -0.6155    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9816    0.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3541    0.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0088   -0.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908   -1.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4764   -0.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1752    1.7634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    2.4574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    2.0170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556   -1.0603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5752   -1.1912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1408   -2.1284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6092   -1.4836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7571    0.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  1  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 15  1  0  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  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 18  1  1  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  1  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  6  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 14 17  2  0  0  0  0
 15 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
50935423

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
351

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHAAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAIAAAAADwOAAMAAAAAAAACAAgBCAAAAAAAgAAAAAEAAAggAAAIBAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAIAARAACIACRAACIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylene)-5-(dichloromethyl)norbornane

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylidene)-5-(dichloromethyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,3<I>R</I>,4<I>R</I>,5<I>R</I>,6<I>E</I>)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylidene)-5-(dichloromethyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
(1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylidene)-5-(dichloromethyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R,2R,3E,4S,6R)-2-[bis(chloranyl)methyl]-5,5,6-tris(chloranyl)-3-(chloranylmethylidene)-2-(chloromethyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,3R,4R,5R,6E)-2,2,3-trichloro-5-(chloromethyl)-6-(chloromethylene)-5-(dichloromethyl)norbornane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H9Cl7/c11-2-6-4-1-5(7(13)10(4,16)17)9(6,3-12)8(14)15/h2,4-5,7-8H,1,3H2/b6-2+/t4-,5-,7+,9+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
AVTXMUPUFATHLW-YZBPSSSQSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
375.849444

> <PUBCHEM_MOLECULAR_FORMULA>
C10H9Cl7

> <PUBCHEM_MOLECULAR_WEIGHT>
377.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C(C(C1C(=CCl)C2(CCl)C(Cl)Cl)(Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@H]2[C@H](C([C@@H]1/C(=C\Cl)/[C@]2(CCl)C(Cl)Cl)(Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
373.852394

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
12  1  5
10  19  6
8  18  5
9  16  5

$$$$