22600192
  -OEChem-05102418462D

 63 60  0     0  0  0  0  0  0999 V2000
    8.0622    0.6160    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282    0.1160    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    0.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    1.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    1.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390   -1.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4390   -0.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2679    1.5926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5776    1.1941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853   -0.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6853   -1.1485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8598   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6569   -0.8589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    0.9821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -1.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    0.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7803    0.9821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    1.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1233   -1.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -2.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4344   -0.4209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8144    0.6530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  2  0  0  0  0
  5 17  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8 14  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 15  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 20  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 21  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 22  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 23  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 18  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 19  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 18 24  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 25  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 25 63  1  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
22600192

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
131

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADgCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyAAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;2,2-diethylhexanoate

> <PUBCHEM_IUPAC_CAS_NAME>
zinc;2,2-diethylhexanoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;2,2-diethylhexanoate

> <PUBCHEM_IUPAC_NAME>
zinc;2,2-diethylhexanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;2,2-diethylhexanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;2,2-diethylhexanoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C10H20O2.Zn/c2*1-4-7-8-10(5-2,6-3)9(11)12;/h2*4-8H2,1-3H3,(H,11,12);/q;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
UNHRUFTYPWKHEI-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
406.206151

> <PUBCHEM_MOLECULAR_FORMULA>
C20H38O4Zn

> <PUBCHEM_MOLECULAR_WEIGHT>
407.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC(CC)(CC)C(=O)[O-].CCCCC(CC)(CC)C(=O)[O-].[Zn+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC(CC)(CC)C(=O)[O-].CCCCC(CC)(CC)C(=O)[O-].[Zn+2]

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
406.206151

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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

$$$$