Marvin  02020919102D          

  8  8  0  0  0  0            999 V2000
    0.9959   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9959   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9959    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  2  0  0  0  0
  1  2  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
M  END
> <ID>
CHEBI:37892

> <NAME>
cycloocta-1,3,6-triene

> <STAR>
3

> <SYNONYM>
1,3,6-cyclooctatriene

> <IUPAC_NAME>
cycloocta-1,3,6-triene

> <FORMULA>
C8H10

> <MASS>
106.16500

> <MONOISOTOPIC_MASS>
106.07825

> <CHARGE>
0

> <SMILES>
C1\C=C/C\C=C/C=C\1

> <INCHI>
InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-4,7-8H,5-6H2/b3-1-,4-2-,8-7-

> <INCHIKEY>
LHNSMWDERKGLJK-DKPWQKSPSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1848165

> <CAS_REGISTRY_NUMBER>
3725-30-2

> <GMELIN_REGISTRY_NUMBER>
260126

> <CHEMIDPLUS>
3725-30-2

> <NIST_CHEMISTRY_WEBBOOK>
3725-30-2

$$$$