15625
  -OEChem-05241323202D

 22 24  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0602   -1.0241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0602    1.0241    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5301    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3961   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901   -1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2901    1.0347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641   -0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2829   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773    1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7773   -1.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 17  1  0  0  0  0
  3 16  1  0  0  0  0
  4 15  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8 13  2  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  2  0  0  0  0
 11 18  1  0  0  0  0
 11 22  1  0  0  0  0
 12 17  1  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15625

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
259

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMAAHAAAAAAAAAAAAAAAAAAAAAAA0YIAAAAAAAACRQAAAGgIAAAAACAaAkCAwBoAABACAACBCAAACCAAgJQAAikAGiogNJiKFMhqCOCKkwBEKqAeAQAAAACAAAQAAQAQAQAACAACACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3,7,8-tetrachlorodibenzo-p-dioxin

> <PUBCHEM_IUPAC_CAS_NAME>
2,3,7,8-tetrachlorodibenzo-p-dioxin

> <PUBCHEM_IUPAC_NAME>
2,3,7,8-tetrachlorodibenzo-p-dioxin

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3,7,8-tetrakis(chloranyl)dibenzo-p-dioxin

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3,7,8-tetrachlorodibenzo-p-dioxin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

> <PUBCHEM_IUPAC_INCHIKEY>
HGUFODBRKLSHSI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6.4

> <PUBCHEM_EXACT_MASS>
321.89359

> <PUBCHEM_MOLECULAR_FORMULA>
C12H4Cl4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
321.97096

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
18.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
319.89654

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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
11  18  8
12  17  8
13  16  8
14  15  8
15  16  8
17  18  8
7  14  8
7  8  8
8  13  8
9  10  8
9  12  8

$$$$