60117111
  -OEChem-05012417472D

  8  5  0     0  0  0  0  0  0999 V2000
    6.0010   -0.2500    0.0000 Cs  0  4  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  CHG  1   7  -1
M  RAD  1   1   2
M  END
> <PUBCHEM_COMPOUND_CID>
60117111

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
32.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAAAAAAAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAADAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHO3.Cs.O.Pd/c2-1-4-3;;;/h3H;;;/q-1;;;

> <PUBCHEM_IUPAC_INCHIKEY>
MWQGRBMOUQGXSS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
315.79642

> <PUBCHEM_MOLECULAR_FORMULA>
CHCsO4Pd-

> <PUBCHEM_MOLECULAR_WEIGHT>
316.34

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

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

> <PUBCHEM_CACTVS_TPSA>
63.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.79642

> <PUBCHEM_TOTAL_CHARGE>
-1

> <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_NONSTANDARDBOND>
1  2  6
2  7  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$