14799
 OpenBabel05082101102D

 10  4  0  0  0  0  0  0  0  0999 V2000
    0.2990    0.0000    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    0.8660    4.0000    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    2.5981    4.0000    0.0000 Hg  0  2  0  0  0  0  0  0  0  0  0  0
    1.2990    1.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2990    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2990    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2990    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    4.5000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5000    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  4  8  2  0  0  0  0
M  CHG  7   1   2   2   2   3   2   5  -1   6  -1   9  -2  10  -2
M  END
>  <PUBCHEM_COMPOUND_CID>
14799

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
62.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOABAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
trimercuric;oxygen(2-);sulfate

>  <PUBCHEM_IUPAC_CAS_NAME>
mercury(2+);oxygen(2-);sulfate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
mercury(2+);oxygen(2-);sulfate

>  <PUBCHEM_IUPAC_NAME>
mercury(2+);oxygen(2-);sulfate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
mercury(2+);oxygen(2-);sulfate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trimercuric;oxygen(2-);sulfate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/3Hg.H2O4S.2O/c;;;1-5(2,3)4;;/h;;;(H2,1,2,3,4);;/q3*+2;;2*-2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
SZAAFGJXWYCFPL-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
728.84881

>  <PUBCHEM_MOLECULAR_FORMULA>
Hg3O6S

>  <PUBCHEM_MOLECULAR_WEIGHT>
729.8

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-2].[O-2].[O-]S(=O)(=O)[O-].[Hg+2].[Hg+2].[Hg+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-2].[O-2].[O-]S(=O)(=O)[O-].[Hg+2].[Hg+2].[Hg+2]

>  <PUBCHEM_CACTVS_TPSA>
90.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
733.85349

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <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>
6

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
