57449824
  -OEChem-04262406282D

  7  4  0     0  0  0  0  0  0999 V2000
    0.0000    1.7500    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
    2.5000    4.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    2.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320    4.0000    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
    3.3660    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  2  0  0  0  0
M  CHG  2   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57449824

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
20.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAAAAAAAgEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O3.Ba.O.Pd/c2-1(3)4;;;/h(H2,2,3,4);;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
AYCKNAGUMSVJQW-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
319.78839

> <PUBCHEM_MOLECULAR_FORMULA>
CBaO4Pd-2

> <PUBCHEM_MOLECULAR_WEIGHT>
319.76

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

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

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
319.78839

> <PUBCHEM_TOTAL_CHARGE>
-2

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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

$$$$