23275018
  -OEChem-05072408362D

 26 27  0     1  0  0  0  0  0999 V2000
    2.9010   -1.2684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3868    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4968    1.4522    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5966   -1.4947    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8178   -0.0979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0772   -1.6802    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3975   -2.1870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    2.1870    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6964    0.2299    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0953   -0.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9552    1.1958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2186    2.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3236   -0.3621    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9816    0.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3541    0.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0088   -0.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9908   -1.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2201    1.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7144   -0.3898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9411    0.5760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5364    2.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6054    2.2704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556   -0.8069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6187   -1.1675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6031   -1.1765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7571    0.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  1  0  0  0  0
 15 18  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
 18 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
23275018

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
366

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwAAAHgAAAAAAAAAAAAAAAAYMAAAAwAAAAAAAAAAAAAAAAGAIAAAAADwOAAMAAAAAAAACAAgBCAAAAAAAgAAAAAEAAAggAAAIBAQAAAAAAgAAAAAEAgMAPgAAAAAAAAAAIAARAACIACRAACIACAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6E)-2,2,3-trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)norbornane

> <PUBCHEM_IUPAC_CAS_NAME>
(6E)-2,2,3-trichloro-6-(chloromethylidene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6<I>E</I>)-2,2,3-trichloro-6-(chloromethylidene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane

> <PUBCHEM_IUPAC_NAME>
(6E)-2,2,3-trichloro-6-(chloromethylidene)-5,5-bis(dichloromethyl)bicyclo[2.2.1]heptane

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6E)-2,2,3-trichloro-6-(chloromethylene)-5,5-bis(dichloromethyl)norbornane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H8Cl8/c11-2-5-3-1-4(6(12)10(3,17)18)9(5,7(13)14)8(15)16/h2-4,6-8H,1H2/b5-2+

> <PUBCHEM_IUPAC_INCHIKEY>
HIUJWLIHFYIYJC-GORDUTHDSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
411.807522

> <PUBCHEM_MOLECULAR_FORMULA>
C10H8Cl8

> <PUBCHEM_MOLECULAR_WEIGHT>
411.8

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C(C(C1/C(=C\Cl)/C2(C(Cl)Cl)C(Cl)Cl)(Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.813422

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
13  1  3
11  12  3
9  12  3

$$$$