103012
  -OEChem-05072412092D

 76 72  0     1  0  0  0  0  0999 V2000
    7.1962    1.0000    0.0000 Cr  0  1  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
    8.0622    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.5000    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
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.5000    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    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    3.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5822    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1836    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    4.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.5251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5762   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8162   -3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    5.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881    3.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181   -4.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5683    0.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9483    2.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.4631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5 23  2  0  0  0  0
  6 24  2  0  0  0  0
  7 25  2  0  0  0  0
  8 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 23  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 18  1  0  0  0  0
  9 24  1  0  0  0  0
  9 33  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 25  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 15  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 16  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 20  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 21  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 22  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 26  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 27  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 28  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 29  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
 21 30  1  0  0  0  0
 21 55  1  0  0  0  0
 21 56  1  0  0  0  0
 22 31  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 26 59  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 27 64  1  0  0  0  0
 28 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
M  CHG  4   1   3   2  -1   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
103012

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
93.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
chromic;2-ethylhexanoate

> <PUBCHEM_IUPAC_CAS_NAME>
chromium(3+);2-ethylhexanoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
chromium(3+);2-ethylhexanoate

> <PUBCHEM_IUPAC_NAME>
chromium(3+);2-ethylhexanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
chromium(3+);2-ethylhexanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chromic;2-ethylhexanoate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C8H16O2.Cr/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3

> <PUBCHEM_IUPAC_INCHIKEY>
WBKDDMYJLXVBNI-UHFFFAOYSA-K

> <PUBCHEM_EXACT_MASS>
481.262119

> <PUBCHEM_MOLECULAR_FORMULA>
C24H45CrO6

> <PUBCHEM_MOLECULAR_WEIGHT>
481.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cr+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cr+3]

> <PUBCHEM_CACTVS_TPSA>
120

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
481.262119

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  19  3
8  17  3
9  18  3

$$$$