59917387
  -OEChem-04252407182D

  9  5  0     0  0  0  0  0  0999 V2000
    2.0000   -1.1901    0.0000 Cs  0  4  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2241    0.0000 Cs  0  4  0  0  0  0  0  0  0  0  0  0
    2.7071   -0.4830    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -0.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142   -1.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554    1.1901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0872    0.6724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142    0.2241    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.6861    0.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
M  CHG  1   8  -1
M  RAD  2   1   2   2   2
M  END
> <PUBCHEM_COMPOUND_CID>
59917387

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
35.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAAAAAAAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAADAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHO3.2Cs.O.Pd/c2-1-4-3;;;;/h3H;;;;/q-1;;;;

> <PUBCHEM_IUPAC_INCHIKEY>
FFQCJFDBXVIYMD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
448.70187

> <PUBCHEM_MOLECULAR_FORMULA>
CHCs2O4Pd-

> <PUBCHEM_MOLECULAR_WEIGHT>
449.25

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

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

> <PUBCHEM_CACTVS_TPSA>
63.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
448.70187

> <PUBCHEM_TOTAL_CHARGE>
-1

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  3  6
2  3  6
3  8  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$