57371488
  -OEChem-05132415422D

 27 20  0     0  0  0  0  0  0999 V2000
    6.5380    1.3660    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    3.0739    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0021    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6360    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.8660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.4040    0.8660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8059    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    4.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    6.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    9.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1360    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    7.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    7.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    9.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    9.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 17  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  2  0  0  0  0
 11 19  2  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
M  CHG  3   1   2   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57371488

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
77.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
14

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgPcAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwAACAAAAAAAgBAACAAAAAAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nickelous;2,2,2-trifluoroacetate;tetrahydrate

> <PUBCHEM_IUPAC_CAS_NAME>
nickel(2+);2,2,2-trifluoroacetate;tetrahydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
nickel(2+);2,2,2-trifluoroacetate;tetrahydrate

> <PUBCHEM_IUPAC_NAME>
nickel(2+);2,2,2-trifluoroacetate;tetrahydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
nickel(2+);2,2,2-tris(fluoranyl)ethanoate;tetrahydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nickelous;2,2,2-trifluoroacetate;tetrahydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C2HF3O2.Ni.4H2O/c2*3-2(4,5)1(6)7;;;;;/h2*(H,6,7);;4*1H2/q;;+2;;;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
SSQGMBUOXDWHIJ-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
355.947678

> <PUBCHEM_MOLECULAR_FORMULA>
C4H8F6NiO8

> <PUBCHEM_MOLECULAR_WEIGHT>
356.79

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.O.O.O.[Ni+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].O.O.O.O.[Ni+2]

> <PUBCHEM_CACTVS_TPSA>
84.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
355.947678

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$