8326
 OpenBabel05082101102D

 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7320   -2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    1.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
8326

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
291

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBwMAAHAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAEgBAAAACgIAAAAADAIAmCAACIAABACIAgDQCAACAAAkBAAAikEACsgIJjKBNhiCMQAkwAEIrQeLyKCOhAAQIACRAAQIACBAASIACAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
4,5,6,7-tetrachloroisobenzofuran-1,3-dione

>  <PUBCHEM_IUPAC_CAS_NAME>
4,5,6,7-tetrachloroisobenzofuran-1,3-dione

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4,5,6,7-tetrachloro-2-benzofuran-1,3-dione

>  <PUBCHEM_IUPAC_NAME>
4,5,6,7-tetrachloro-2-benzofuran-1,3-dione

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4,5,6,7-tetrakis(chloranyl)-2-benzofuran-1,3-dione

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4,5,6,7-tetrachlorophthalan-1,3-quinone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11

>  <PUBCHEM_IUPAC_INCHIKEY>
AUHHYELHRWCWEZ-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
3.8

>  <PUBCHEM_EXACT_MASS>
285.857205

>  <PUBCHEM_MOLECULAR_FORMULA>
C8Cl4O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
285.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O

>  <PUBCHEM_CACTVS_TPSA>
43.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.860155

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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  12  8
11  13  8
12  13  8
8  10  8
8  9  8
9  11  8

$$$$
