24643
 OpenBabel05082101102D

 21 12  0  0  0  0  0  0  0  0999 V2000
    0.8660    2.5000    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    0.8660    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3429    3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8798    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8059    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24643

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
0

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
6

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccAAOAAGAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
cobaltous;dichloride;hexahydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
cobalt(2+);dichloride;hexahydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt(2+);dichloride;hexahydrate

>  <PUBCHEM_IUPAC_NAME>
cobalt(2+);dichloride;hexahydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt(2+);dichloride;hexahydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobaltous;dichloride;hexahydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
GFHNAMRJFCEERV-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
236.934287

>  <PUBCHEM_MOLECULAR_FORMULA>
Cl2CoH12O6

>  <PUBCHEM_MOLECULAR_WEIGHT>
237.93

>  <PUBCHEM_OPENEYE_CAN_SMILES>
O.O.O.O.O.O.[Cl-].[Cl-].[Co+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
O.O.O.O.O.O.[Cl-].[Cl-].[Co+2]

>  <PUBCHEM_CACTVS_TPSA>
6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
236.934287

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
9

>  <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>
9

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
