Marvin  02020715262D          

  6  6  0  0  0  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  2  1  2  0  0  0  0
  5  6  1  0  0  0  0
  4  5  2  0  0  0  0
  3  4  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:37611

> <NAME>
cyclohexa-1,4-diene

> <STAR>
3

> <SYNONYM>
1,4-dihydrobenzene; 1,4-cyclohexadiene

> <IUPAC_NAME>
cyclohexa-1,4-diene

> <FORMULA>
C6H8

> <MASS>
80.12772

> <MONOISOTOPIC_MASS>
80.06260

> <CHARGE>
0

> <SMILES>
C1C=CCC=C1

> <INCHI>
InChI=1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2

> <INCHIKEY>
UVJHQYIOXKWHFD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1900733

> <CAS_REGISTRY_NUMBER>
628-41-1

> <GMELIN_REGISTRY_NUMBER>
1656

> <CHEMIDPLUS>
628-41-1

> <NIST_CHEMISTRY_WEBBOOK>
628-41-1

$$$$