22833328
  -OEChem-05032419522D

 63 60  0     1  0  0  0  0  0999 V2000
    8.0622    0.5000    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -0.9749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2679    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5776    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    1.0781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8503   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6972   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7803    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    1.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4344   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8144    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 20  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 21  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 38  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 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>
22833328

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
146

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADwCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyFAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cobaltous;2-ethyl-2,5-dimethyl-hexanoate

> <PUBCHEM_IUPAC_CAS_NAME>
cobalt(2+);2-ethyl-2,5-dimethylhexanoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt(2+);2-ethyl-2,5-dimethylhexanoate

> <PUBCHEM_IUPAC_NAME>
cobalt(2+);2-ethyl-2,5-dimethylhexanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt(2+);2-ethyl-2,5-dimethyl-hexanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobaltous;2-ethyl-2,5-dimethyl-hexanoate

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

> <PUBCHEM_IUPAC_INCHIKEY>
KOKXAPDKXDSOEG-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
401.210203

> <PUBCHEM_MOLECULAR_FORMULA>
C20H38CoO4

> <PUBCHEM_MOLECULAR_WEIGHT>
401.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Co+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Co+2]

> <PUBCHEM_CACTVS_TPSA>
80.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
401.210203

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
6  16  3
7  17  3

$$$$