73557423
 OpenBabel05082101102D

 11  8  0  0  0  0  0  0  0  0999 V2000
    4.5981   -0.2500    0.0000 Ni  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
73557423

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
30.7

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAOAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEgAACAAAAAAAAAMACAAAAgAIAAAAiAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
formic acid;nickel

>  <PUBCHEM_IUPAC_CAS_NAME>
formic acid;nickel

>  <PUBCHEM_IUPAC_NAME_MARKUP>
formic acid;nickel

>  <PUBCHEM_IUPAC_NAME>
formic acid;nickel

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methanoic acid;nickel

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
formic acid;nickel

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2CH2O2.Ni/c2*2-1-3;/h2*1H,(H,2,3);

>  <PUBCHEM_IUPAC_INCHIKEY>
RLECTHJZLCHILZ-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
149.9463

>  <PUBCHEM_MOLECULAR_FORMULA>
C2H4NiO4

>  <PUBCHEM_MOLECULAR_WEIGHT>
150.74

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)O.C(=O)O.[Ni]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)O.C(=O)O.[Ni]

>  <PUBCHEM_CACTVS_TPSA>
74.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.9463

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
