Marvin  02260910512D          

 10 11  0  0  0  0            999 V2000
   -0.6674   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    1.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    1.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6674    0.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  9  1  0  0  0  0
 10  9  2  0  0  0  0
  1  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 10  1  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
M  END
> <ID>
CHEBI:51994

> <NAME>
fulvalene

> <DEFINITION>
A cyclic hydrocarbon that consists of two cyclopentane rings connected via a C=C bond between the methylene groups.

> <STAR>
3

> <SYNONYM>
pentafulvalene; fulvaleno; fulvalene; Fulvalen; bicyclopentyliden-2,4,2',4'-tetraene; bicyclopentadienylidene; [5,5']bicyclopentadienylidene; [1,1'-bi(cyclopentylidene)]-2,2',4,4'-tetraene; 5-(2,4-cyclopentadien-1-ylidene)-1,3-cyclopentadiene; 1,1'-bi[cyclopentadienylidene]

> <IUPAC_NAME>
1,1'-bi(cyclopenta-2,4-dien-1-ylidene)

> <FORMULA>
C10H8

> <MASS>
128.17050

> <MONOISOTOPIC_MASS>
128.06260

> <CHARGE>
0

> <SMILES>
C1=CC(C=C1)=C1C=CC=C1

> <INCHI>
InChI=1S/C10H8/c1-2-6-9(5-1)10-7-3-4-8-10/h1-8H

> <INCHIKEY>
XEOSBIMHSUFHQH-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2037214

> <CAS_REGISTRY_NUMBER>
91-12-3

> <GMELIN_REGISTRY_NUMBER>
305994

> <REAXYS_REGISTRY_NUMBER>
2037214

> <NIST_CHEMISTRY_WEBBOOK>
91-12-3

> <WIKIPEDIA_ACCESSION>
Fulvalene

> <PUBMED_CITATION>
11671506; 12055000; 17711267; 20812743; 21117649; 25284044; 30113830; 33856724

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