69029
  -OEChem-05132401032D

 13 13  0     0  0  0  0  0  0999 V2000
    4.2320    1.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69029

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
309

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgIAAHAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAACgIAAAAACAYAgIAAAAAAAACIAIBQAAAAAAAgAAAACEAAAkhAAAAAAAAAAAAAAAAIAQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,4,4,5,6-hexachloro-1-cyclohexa-2,5-dienone

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_NAME>
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,4,4,5,6-hexakis(chloranyl)cyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3,4,4,5,6-hexachlorocyclohexa-2,5-dien-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6Cl6O/c7-1-3(13)2(8)5(10)6(11,12)4(1)9

> <PUBCHEM_IUPAC_INCHIKEY>
SLKWROUNLHVIIQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
299.805081

> <PUBCHEM_MOLECULAR_FORMULA>
C6Cl6O

> <PUBCHEM_MOLECULAR_WEIGHT>
300.8

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

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

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
297.808031

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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

$$$$