6478
  -OEChem-04252409082D

 11 11  0     0  0  0  0  0  0999 V2000
    4.3479    1.5784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1723    1.5784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5202    0.4907    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6723   -1.5784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -1.5784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691    0.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6478

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
234

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgAAAHAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAACAIAAAAACAIAAIAAAAAAAACAAABAAAAAAAAgAAAACEAAAggIAAAAAAAAAAAAAAAIgAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

> <PUBCHEM_IUPAC_NAME>
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,4,5,5-hexakis(chloranyl)cyclopenta-1,3-diene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8

> <PUBCHEM_IUPAC_INCHIKEY>
VUNCWTMEJYMOOR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5

> <PUBCHEM_EXACT_MASS>
271.810166

> <PUBCHEM_MOLECULAR_FORMULA>
C5Cl6

> <PUBCHEM_MOLECULAR_WEIGHT>
272.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.813116

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$