11855
  -OEChem-05042420042D

 12 12  0     0  0  0  0  0  0999 V2000
    3.7320    1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  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  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11855

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
125

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgAAAHAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAIAAAAACAKAECAwAIAAAACAACBCAAACAAAgBQAAikAAAogIICKBEhCAIAAggAAIiAcAAAAAAAAQAACAAAQAACAAAQAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,2,3,4,5-pentachlorobenzene

> <PUBCHEM_IUPAC_CAS_NAME>
1,2,3,4,5-pentachlorobenzene

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,2,3,4,5-pentachlorobenzene

> <PUBCHEM_IUPAC_NAME>
1,2,3,4,5-pentachlorobenzene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2,3,4,5-pentakis(chloranyl)benzene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,2,3,4,5-pentachlorobenzene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H

> <PUBCHEM_IUPAC_INCHIKEY>
CEOCDNVZRAIOQZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.2

> <PUBCHEM_EXACT_MASS>
249.849138

> <PUBCHEM_MOLECULAR_FORMULA>
C6HCl5

> <PUBCHEM_MOLECULAR_WEIGHT>
250.3

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
247.852089

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
6  7  8
6  8  8
7  10  8
8  9  8
9  11  8

$$$$