16211978
  -OEChem-04242420462D

  7  5  0     0  0  0  0  0  0999 V2000
    2.5981    0.5000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.5000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    2.5000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16211978

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
36.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxoiron;oxo(oxoferriooxy)iron

> <PUBCHEM_IUPAC_CAS_NAME>
oxoiron;oxo(oxoferriooxy)iron

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxoiron;oxo(oxoferriooxy)iron

> <PUBCHEM_IUPAC_NAME>
oxoiron;oxo(oxoferriooxy)iron

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanylideneiron;oxidanylidene(oxidanylideneferriooxy)iron

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ketoiron;keto(ketoferriooxy)iron

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3Fe.4O

> <PUBCHEM_IUPAC_INCHIKEY>
SZVJSHCCFOBDDC-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
231.784465

> <PUBCHEM_MOLECULAR_FORMULA>
Fe3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
231.53

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=[Fe].O=[Fe]O[Fe]=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=[Fe].O=[Fe]O[Fe]=O

> <PUBCHEM_CACTVS_TPSA>
60.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
231.784465

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$