6901
  -OEChem-05102418182D

 10  9  0     0  0  0  0  0  0999 V2000
    3.7320   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6901

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
160

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAIAAAAACAIAAIAAAAAAAACAAABAAAAAAAAAAAAAAEAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,1,2,3,4,4-hexachlorobuta-1,3-diene

> <PUBCHEM_IUPAC_CAS_NAME>
1,1,2,3,4,4-hexachlorobuta-1,3-diene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,1,2,3,4,4-hexachlorobuta-1,3-diene

> <PUBCHEM_IUPAC_NAME>
1,1,2,3,4,4-hexachlorobuta-1,3-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,1,2,3,4,4-hexakis(chloranyl)buta-1,3-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,1,2,3,4,4-hexachlorobuta-1,3-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10

> <PUBCHEM_IUPAC_INCHIKEY>
RWNKSTSCBHKHTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
4.8

> <PUBCHEM_EXACT_MASS>
259.810166

> <PUBCHEM_MOLECULAR_FORMULA>
C4Cl6

> <PUBCHEM_MOLECULAR_WEIGHT>
260.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.813116

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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

$$$$