Marvin  01230623212D          

  9  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Fe  0  0  3  0  0  0  0  0  0  0  0  0
    0.8250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  3  0  0  0  0
  3  5  3  0  0  0  0
  6  7  2  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <ID>
CHEBI:30840

> <NAME>
dicarbonyldinitrosyliron

> <STAR>
3

> <SYNONYM>
[Fe(CO)2(NO)2]

> <IUPAC_NAME>
dicarbonyldinitrosyliron(0); dicarbonyldinitrosyliron

> <FORMULA>
C2FeN2O4

> <MASS>
171.87748

> <MONOISOTOPIC_MASS>
171.92074

> <CHARGE>
0

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

> <INCHI>
InChI=1S/2CO.Fe.2NO/c2*1-2;;2*1-2/q;;+2;2*-1

> <INCHIKEY>
AQJKXWPSVXRALZ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
13682-74-1

> <GMELIN_REGISTRY_NUMBER>
26982

> <MOLBASE_ACCESSION>
231

> <NIST_CHEMISTRY_WEBBOOK>
13682-74-1

$$$$