Marvin  01230621402D          

 11 10  0  0  0  0            999 V2000
    0.8750   -4.2167    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8792   -5.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -4.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625   -3.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7000   -4.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -3.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500   -5.0417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5250   -4.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833   -2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  5  7  3  0  0  0  0
  1  4  1  0  0  0  0
  4  8  3  0  0  0  0
  6  9  3  0  0  0  0
  1  5  1  0  0  0  0
  3 10  3  0  0  0  0
  1  3  1  0  0  0  0
  2 11  3  0  0  0  0
M  END
> <ID>
CHEBI:30251

> <NAME>
pentacarbonyliron

> <STAR>
3

> <SYNONYM>
iron pentacarbonyl; [Fe(CO)5]

> <IUPAC_NAME>
pentacarbonyliron(0); pentacarbonyliron

> <FORMULA>
C5FeO5

> <MASS>
195.89550

> <MONOISOTOPIC_MASS>
195.90951

> <CHARGE>
0

> <SMILES>
[O]#C[Fe](C#[O])(C#[O])(C#[O])C#[O]

> <INCHI>
InChI=1S/5CO.Fe/c5*1-2;

> <INCHIKEY>
FYOFOKCECDGJBF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13463-40-6

> <GMELIN_REGISTRY_NUMBER>
3568

> <CHEMIDPLUS>
13463-40-6

> <MOLBASE_ACCESSION>
49

> <NIST_CHEMISTRY_WEBBOOK>
13463-40-6

$$$$