20849306
  -OEChem-05142407202D

 32 30  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
    7.1962    0.0000    0.0000 O   0  5  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
    5.4641    0.0000    0.0000 C   0  0  3  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
    3.7320   -0.0000    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
    2.8660   -0.5000    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
    6.3301    0.5000    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
    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
    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
    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
    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
    2.8660    0.1200    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
    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
    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 10  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  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
 13 32  1  0  0  0  0
M  CHG  2   1   2   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
20849306

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
146

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADwCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyFAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <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/C10H20O2.Co/c1-5-10(4,9(11)12)7-6-8(2)3;/h8H,5-7H2,1-4H3,(H,11,12);/q;+2/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SAHUWEUMBZTUDF-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
230.071698

> <PUBCHEM_MOLECULAR_FORMULA>
C10H19CoO2+

> <PUBCHEM_MOLECULAR_WEIGHT>
230.19

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

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

> <PUBCHEM_CACTVS_TPSA>
40.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
230.071698

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
4  9  3

$$$$