76853349
  -OEChem-05132412062D

 56 58  0     1  0  0  0  0  0999 V2000
    2.7320    6.3462    0.0000 Co  0  2  0  0  0  0  0  0  0  0  0  0
    1.8660    4.8462    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.0000    6.3462    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.0000    5.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    3.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    7.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7320    5.3462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.8660    6.8462    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3660    3.9802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4695    9.5748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2134   10.5816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4695    2.6893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2134    3.6961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634    9.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    9.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634    8.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0954    9.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0954    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    7.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0954    8.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0954    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4695    7.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0055    9.5470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4695    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0055    2.6615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5634    8.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0135   10.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5634    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0135    3.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5634    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1114   11.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5634    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1114    4.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    6.9201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6324    7.7301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2294    0.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6324    0.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766    6.8855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5388    9.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5388    2.3453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277    7.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5516   10.8965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277    0.8217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5516    4.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277    9.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090   11.7294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0277    2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1090    4.8439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9860    3.9802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    7.7492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  2  0  0  0  0
  5 55  1  0  0  0  0
  6 56  1  0  0  0  0
 11 15  1  0  0  0  0
 11 35  2  0  0  0  0
 12 16  1  0  0  0  0
 12 36  2  0  0  0  0
 13 17  1  0  0  0  0
 13 37  2  0  0  0  0
 14 18  1  0  0  0  0
 14 38  2  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 24  1  0  0  0  0
 20 28  1  0  0  0  0
 21 25  1  0  0  0  0
 21 29  1  0  0  0  0
 22 26  1  0  0  0  0
 22 30  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 31  2  0  0  0  0
 27 43  1  0  0  0  0
 28 32  2  0  0  0  0
 28 44  1  0  0  0  0
 29 33  2  0  0  0  0
 29 45  1  0  0  0  0
 30 34  2  0  0  0  0
 30 46  1  0  0  0  0
 31 35  1  0  0  0  0
 31 47  1  0  0  0  0
 32 36  1  0  0  0  0
 32 48  1  0  0  0  0
 33 37  1  0  0  0  0
 33 49  1  0  0  0  0
 34 38  1  0  0  0  0
 34 50  1  0  0  0  0
 35 51  1  0  0  0  0
 36 52  1  0  0  0  0
 37 53  1  0  0  0  0
 38 54  1  0  0  0  0
M  CHG  3   1   2   7  -1   8  -1
M  END
> <PUBCHEM_COMPOUND_CID>
76853349

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
325

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAMAAAAQAAAAAAAAAAAAAAAAAAA8eLFiAAAAAACx/gAAHAAACCAADAjBHgQ8wPIIEBCgQzRnRICCgCQxEiAI2CA4dJgIYOLAkZGUIAhggADIyAcQgMAOQAAAQAACACCAAACAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cobaltous;[hydroxy(oxido)phosphoryl] hydrogen phosphate;1,10-phenanthroline

> <PUBCHEM_IUPAC_CAS_NAME>
cobalt(2+);[hydroxy(oxido)phosphoryl] hydrogen phosphate;1,10-phenanthroline

> <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt(2+);[hydroxy(oxido)phosphoryl] hydrogen phosphate;1,10-phenanthroline

> <PUBCHEM_IUPAC_NAME>
cobalt(2+);[hydroxy(oxido)phosphoryl] hydrogen phosphate;1,10-phenanthroline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt(2+);[oxidanidyl(oxidanyl)phosphoryl] hydrogen phosphate;1,10-phenanthroline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobaltous;[hydroxy(oxido)phosphoryl] hydrogen phosphate;1,10-phenanthroline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C12H8N2.Co.H4O7P2/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;1-8(2,3)7-9(4,5)6/h2*1-8H;;(H2,1,2,3)(H2,4,5,6)/q;;+2;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
OTEVWHHFNUFCSK-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
594.998266

> <PUBCHEM_MOLECULAR_FORMULA>
C24H18CoN4O7P2

> <PUBCHEM_MOLECULAR_WEIGHT>
595.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.OP(=O)([O-])OP(=O)(O)[O-].[Co+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.OP(=O)([O-])OP(=O)(O)[O-].[Co+2]

> <PUBCHEM_CACTVS_TPSA>
182

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
594.998266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
11  35  8
12  16  8
12  36  8
13  17  8
13  37  8
14  18  8
14  38  8
15  16  8
15  19  8
16  20  8
17  18  8
17  21  8
18  22  8
19  23  8
19  27  8
20  24  8
20  28  8
21  25  8
21  29  8
22  26  8
22  30  8
23  24  8
25  26  8
27  31  8
28  32  8
29  33  8
30  34  8
31  35  8
32  36  8
33  37  8
34  38  8

$$$$