62669
  -OEChem-04232421432D

 39 28  0     0  0  0  0  0  0999 V2000
    6.2089    0.8660    0.0000 Ni  0  2  0  0  0  0  0  0  0  0  0  0
    4.4768    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    0.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0749    1.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.9768    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9768    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4409    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4409    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8808    6.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.5460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    6.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    9.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089   12.2821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    0.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    9.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    9.6620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    8.7320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458   12.5921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   12.5921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089   11.6621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4178    6.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3439    6.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    3.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    6.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0739    8.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    4.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7458    6.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  2  0  0  0  0
  3 11  2  0  0  0  0
  4 20  1  0  0  0  0
  5 21  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
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  CHG  3   1   2   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
62669

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
76

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
10

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceADPABgAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQCAAAAAAAAAAAAAAAAIAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
nickelous;ammonia;hydrogen sulfate;hexahydrate

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;hydrogen sulfate;nickel(2+);hexahydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;hydrogen sulfate;nickel(2+);hexahydrate

> <PUBCHEM_IUPAC_NAME>
azane;hydrogen sulfate;nickel(2+);hexahydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;hydrogen sulfate;nickel(2+);hexahydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
nickelous;ammonia;dibisulfate;hexahydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2H3N.Ni.2H2O4S.6H2O/c;;;2*1-5(2,3)4;;;;;;/h2*1H3;;2*(H2,1,2,3,4);6*1H2/q;;+2;;;;;;;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
ZZPAXHDZFDUTLY-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
393.970937

> <PUBCHEM_MOLECULAR_FORMULA>
H20N2NiO14S2

> <PUBCHEM_MOLECULAR_WEIGHT>
395.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
N.N.O.O.O.O.O.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Ni+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
N.N.O.O.O.O.O.O.OS(=O)(=O)[O-].OS(=O)(=O)[O-].[Ni+2]

> <PUBCHEM_CACTVS_TPSA>
180

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
393.970937

> <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>
11

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$