202877
 OpenBabel05082101102D

 27 18  0  0  0  0  0  0  0  0999 V2000
    0.2869    4.2500    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.1477   11.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0138   10.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.8798    6.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.7458    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.8798   11.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6118    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138    7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0138   11.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.7458    6.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.0739    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1477    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5507    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4768    7.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  2  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  CHG  7   1   2   2  -1   3  -1   4  -1   5  -1  14   1  15   1
M  END
>  <PUBCHEM_COMPOUND_CID>
202877

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
18.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

>  <PUBCHEM_CACTVS_HBOND_DONOR>
6

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccADPAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAECAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;dinitrate;hexahydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
magnesium;dinitrate;hexahydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;dinitrate;hexahydrate

>  <PUBCHEM_IUPAC_NAME>
magnesium;dinitrate;hexahydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;dinitrate;hexahydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;dinitrate;hexahydrate

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

>  <PUBCHEM_IUPAC_INCHIKEY>
MFUVDXOKPBAHMC-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
256.024066

>  <PUBCHEM_MOLECULAR_FORMULA>
H12MgN2O12

>  <PUBCHEM_MOLECULAR_WEIGHT>
256.41

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

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

>  <PUBCHEM_CACTVS_TPSA>
132

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
256.024066

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
15

>  <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>
9

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
