Marvin  10130610582D          

 11 20  0  0  0  0            999 V2000
    0.0136   -0.9049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7260   -1.3210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7260   -1.3210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3448   -1.7079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3448   -1.7079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0136    0.9049    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7260    1.3210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3448    1.7079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3448    1.7079    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7260    1.3210    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  1  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  2  5  1  0  0  0  0
  6  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
 10  4  1  0  0  0  0
 11  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <ID>
CHEBI:30672

> <NAME>
ferrocene

> <DEFINITION>
A bis(η5-cyclopentadienyl)metal(II) having Fe(II) as the metal(II) species. The parent of the class of ferrocenes.

> <STAR>
3

> <SYNONYM>
iron dicyclopentadienyl; iron bis(cyclopentadienide); iron bis(cyclopentadiene); ferrocene; Ferrocen; Dicyclopentadienyleisen; dicyclopentadienyl iron; di-2,4-cyclopentadien-1-yliron; di(pi-cyclopentadienyl)iron; biscyclopentadienyliron; bis(eta(5)-2,4-cyclopentadien-1-yl)iron; bis(cyclopentadienyl)iron; [FeCp2]; [Fe(eta(5)-C5H5)2]

> <IUPAC_NAME>
ferrocene; bis(eta(5)-cyclopentadienyl)iron(II); bis(eta(5)-cyclopentadienyl)iron

> <FORMULA>
C10H10Fe

> <MASS>
186.03140

> <MONOISOTOPIC_MASS>
186.01319

> <CHARGE>
0

> <SMILES>
C12C3C4C5C1[Fe]23451234C5C1C2C3C45

> <INCHI>
InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;

> <INCHIKEY>
DFRHTHSZMBROSH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
6609436

> <CAS_REGISTRY_NUMBER>
102-54-5

> <GMELIN_REGISTRY_NUMBER>
3385

> <REAXYS_REGISTRY_NUMBER>
6609436

> <CHEMIDPLUS>
102-54-5

> <MOLBASE_ACCESSION>
740

> <NIST_CHEMISTRY_WEBBOOK>
102-54-5

> <WIKIPEDIA_ACCESSION>
Ferrocene

> <PUBMED_CITATION>
17455192; 21270987; 21338333; 21428900

$$$$