518470
  -OEChem-05062421302D

 11  6  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  3  0  0  0  0
  3  7  3  0  0  0  0
  4  8  3  0  0  0  0
  5  9  3  0  0  0  0
M  CHG  8   2   1   3   1   4   1   5   1   6  -1   7  -1   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
518470

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
76.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBgOAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
carbon monoxide;iron dihydride

> <PUBCHEM_IUPAC_CAS_NAME>
carbon monoxide;iron dihydride

> <PUBCHEM_IUPAC_NAME_MARKUP>
carbon monoxide;iron dihydride

> <PUBCHEM_IUPAC_NAME>
carbon monoxide;iron dihydride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
carbon monoxide;iron dihydride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
carbon monoxide;iron dihydride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4CO.Fe.2H/c4*1-2;;;

> <PUBCHEM_IUPAC_INCHIKEY>
WZSHZFPIRKSPBD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
169.930244

> <PUBCHEM_MOLECULAR_FORMULA>
C4H2FeO4

> <PUBCHEM_MOLECULAR_WEIGHT>
169.90

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[FeH2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[FeH2]

> <PUBCHEM_CACTVS_TPSA>
4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
169.930244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  6  6
1  7  6
1  8  6
1  9  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$