209258
  -OEChem-05191317532D

 31 21  0     0  0  0  0  0  0999 V2000
    3.0739    6.5000    0.0000 Gd  0  1  0  0  0  0  0  0  0  0  0  0
    7.3059    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5739    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3059    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5739    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3059    8.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5739    8.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.4399    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    7.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399   13.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8429    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9167    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4399    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4399    4.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4399    8.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0739    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9768   10.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030   10.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9768   13.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9030   13.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3798    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3059    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4537    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3798    6.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 19  1  0  0  0  0
  8 17  2  0  0  0  0
  9 18  2  0  0  0  0
 10 19  2  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  CHG  8   1   3   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1  17   1
M  CHG  2  18   1  19   1
M  END
> <PUBCHEM_COMPOUND_CID>
209258

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
15

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccADPAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAECAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
gadolinium(3+);trinitrate;hexahydrate

> <PUBCHEM_IUPAC_CAS_NAME>
gadolinium(3+);trinitrate;hexahydrate

> <PUBCHEM_IUPAC_NAME>
gadolinium(3+);trinitrate;hexahydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
gadolinium(3+);trinitrate;hexahydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
gadolinium(3+);trinitrate;hexahydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Gd.3NO3.6H2O/c;3*2-1(3)4;;;;;;/h;;;;6*1H2/q+3;3*-1;;;;;;

> <PUBCHEM_IUPAC_INCHIKEY>
XWFVFZQEDMDSET-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
451.950946

> <PUBCHEM_MOLECULAR_FORMULA>
GdH12N3O15

> <PUBCHEM_MOLECULAR_WEIGHT>
451.35638

> <PUBCHEM_OPENEYE_CAN_SMILES>
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Gd+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.O.O.[Gd+3]

> <PUBCHEM_CACTVS_TPSA>
195

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
451.950946

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
10

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$