70637528
  -OEChem-05112423252D

 49 50  0     1  0  0  0  0  0999 V2000
    7.5810   -1.0427    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.7238   -0.5277    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.4556   -0.5579    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8317   -2.0123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2953   -2.0728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6408    0.1421    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5601    0.0039    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4158    1.1165    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8189    0.9698    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9920   -0.4975    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.1874   -0.5881    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1863    2.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0823    1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3666    0.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8453    0.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -0.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9590   -0.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178    0.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7670   -1.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782   -1.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8492   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3127   -1.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6011   -0.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5781   -0.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4082    0.4965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8049    0.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8023    2.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8873    2.6159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4001    2.4848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4691    2.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9449    0.2062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5813    1.0114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6510    0.9403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2596    0.1484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6251   -0.4745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3992   -0.9126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7641   -1.0935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5530   -0.6827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    1.2518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4002    0.4999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8118    0.2832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4128    1.0496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629   -1.3324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6276   -2.0759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3712   -1.6113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7696   -1.6881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4965   -2.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9868   -1.4515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 22  2  0  0  0  0
  5 23  2  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 25  1  0  0  0  0
  8 12  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  8 26  1  0  0  0  0
  9 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 19  1  0  0  0  0
  9 27  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 10 22  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  1  0  0  0  0
 11 23  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
70637528

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
194

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAACAAAAAAAAAAAAAAAYMGDAAwYAAAAAAAAAAAAAAAGgAAAAAADwCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyPCPgAAAAAAAAAAAAAQAACAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;2-methylnorbornane-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;2-methyl-2-bicyclo[2.2.1]heptanecarboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;2-methylbicyclo[2.2.1]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
magnesium;2-methylbicyclo[2.2.1]heptane-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;2-methylbicyclo[2.2.1]heptane-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;2-methylnorbornane-2-carboxylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C9H14O2.Mg/c2*1-9(8(10)11)5-6-2-3-7(9)4-6;/h2*6-7H,2-5H2,1H3,(H,10,11);/q;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
YUHBLLJLECBZDM-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
330.1681510

> <PUBCHEM_MOLECULAR_FORMULA>
C18H26MgO4

> <PUBCHEM_MOLECULAR_WEIGHT>
330.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2CCC1C2)C(=O)[O-].CC1(CC2CCC1C2)C(=O)[O-].[Mg+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC2CCC1C2)C(=O)[O-].CC1(CC2CCC1C2)C(=O)[O-].[Mg+2]

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
330.1681510

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
6

> <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

> <PUBCHEM_BONDANNOTATIONS>
10  20  3
11  21  3
6  16  3
7  17  3
8  18  3
9  19  3

$$$$