Marvin  01060611502D          

  4  4  0  0  0  0            999 V2000
   -0.4125   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
> <ID>
CHEBI:33657

> <NAME>
cyclobuta-1,3-diene

> <STAR>
3

> <SYNONYM>
cyclobutadiene

> <IUPAC_NAME>
cyclobuta-1,3-diene

> <FORMULA>
C4H4

> <MASS>
52.07456

> <MONOISOTOPIC_MASS>
52.03130

> <CHARGE>
0

> <SMILES>
C1=CC=C1

> <INCHI>
InChI=1S/C4H4/c1-2-4-3-1/h1-4H

> <INCHIKEY>
HWEQKSVYKBUIIK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1846716

> <CAS_REGISTRY_NUMBER>
1120-53-2

> <GMELIN_REGISTRY_NUMBER>
322920

> <NIST_CHEMISTRY_WEBBOOK>
1120-53-2

$$$$