24798
  -OEChem-05241311052D

  9  6  0     0  0  0  0  0  0999 V2000
    0.0000    2.2500    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
    4.2320    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2320    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3660    4.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  7   1   2   2  -1   3  -1   4  -1   5  -1   8   1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
24798

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADOAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
barium(2+);dinitrate

> <PUBCHEM_IUPAC_CAS_NAME>
barium(2+);dinitrate

> <PUBCHEM_IUPAC_NAME>
barium(2+);dinitrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
barium(2+);dinitrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
barium(2+);dinitrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1

> <PUBCHEM_IUPAC_INCHIKEY>
IWOUKMZUPDVPGQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
261.880883

> <PUBCHEM_MOLECULAR_FORMULA>
BaN2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
261.3368

> <PUBCHEM_OPENEYE_CAN_SMILES>
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ba+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Ba+2]

> <PUBCHEM_CACTVS_TPSA>
126

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.880883

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$