Marvin  01271011182D          

 13 22  0  0  0  0            999 V2000
    0.7772   -2.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0387   -3.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830   -3.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7644   -1.8656    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    0.4460   -3.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1322   -3.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7498   -0.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445   -0.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0801   -0.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0566   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4679   -0.4809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -1.2807    0.0000 C   0  0  0  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
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <ID>
CHEBI:55445

> <NAME>
vinylferrocene

> <DEFINITION>
Ferrocene substituted on one of the cyclopentadienyl rings by a vinyl group.

> <STAR>
3

> <IUPAC_NAME>
ethenylferrocene

> <FORMULA>
C12H12Fe

> <MASS>
212.06900

> <MONOISOTOPIC_MASS>
212.02884

> <CHARGE>
0

> <SMILES>
C=CC12C3C4C5C1[Fe]23451234C5C1C2C3C45

> <INCHI>
InChI=1S/C7H7.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h2-6H,1H2;1-5H;

> <INCHIKEY>
LCPVTGDQYVLJHU-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1271-51-8

> <CHEMIDPLUS>
1271-51-8

> <NIST_CHEMISTRY_WEBBOOK>
1271-51-8

$$$$