24840
 OpenBabel05082101102D

 11  8  0  0  0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 11  2  0  0  0  0
M  CHG  3   3   2   4  -1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24840

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
95.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAPAAGACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;diperchlorate

>  <PUBCHEM_IUPAC_CAS_NAME>
magnesium;diperchlorate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;diperchlorate

>  <PUBCHEM_IUPAC_NAME>
magnesium;diperchlorate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;diperchlorate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;diperchlorate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
MPCRDALPQLDDFX-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
221.882064

>  <PUBCHEM_MOLECULAR_FORMULA>
Cl2MgO8

>  <PUBCHEM_MOLECULAR_WEIGHT>
223.2

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

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

>  <PUBCHEM_CACTVS_TPSA>
149

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
221.882064

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
11

>  <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

$$$$
