57449119
  -OEChem-04262401062D

  8  5  0     0  0  0  0  0  0999 V2000
    0.0000    1.8660    0.0000 Ba  0  0  0  0  0 15  0  0  0  0  0  0
    2.8660    0.0000    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.8660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    4.2320    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320    3.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
M  CHG  2   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57449119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
64.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOABAAAAAAAgEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_INCHIKEY>
IKCWYTBWIAHVOZ-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
355.75537

> <PUBCHEM_MOLECULAR_FORMULA>
BaO5PdS-2

> <PUBCHEM_MOLECULAR_WEIGHT>
355.81

> <PUBCHEM_OPENEYE_CAN_SMILES>
[O-]S(=O)(=O)[O-].O=[Pd].[Ba]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[O-]S(=O)(=O)[O-].O=[Pd].[Ba]

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.75537

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$