61542
  -OEChem-05052417172D

  3  1  0     0  0  0  0  0  0999 V2000
    0.2500    2.5000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
61542

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;molecular oxygen

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;molecular oxygen

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;molecular oxygen

> <PUBCHEM_IUPAC_NAME>
sodium;molecular oxygen

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;molecular oxygen

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;molecular oxygen

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Na.O2/c;1-2/q+1;

> <PUBCHEM_IUPAC_INCHIKEY>
ZBNMBCAMIKHDAA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
54.97959852

> <PUBCHEM_MOLECULAR_FORMULA>
NaO2+

> <PUBCHEM_MOLECULAR_WEIGHT>
54.989

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=O.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=O.[Na+]

> <PUBCHEM_CACTVS_TPSA>
34.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
54.97959852

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$