ChEBI
  Marvin  09260510582D          

  5  4  0  0  0  0            999 V2000
    4.6517   -4.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5227   -4.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3444   -4.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7554   -4.0816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948   -4.0807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  1  2  0  0  0  0
  3  2  2  0  0  0  0
  5  3  2  0  0  0  0
M  END
> <ID>
CHEBI:30086

> <NAME>
carbon suboxide

> <STAR>
3

> <SYNONYM>
O=C=C=C=O; Carbon suboxide; Carbon suboxide

> <IUPAC_NAME>
propa-1,2-diene-1,3-dione

> <FORMULA>
C3O2

> <MASS>
68.03090

> <MONOISOTOPIC_MASS>
67.98983

> <CHARGE>
0

> <SMILES>
O=C=C=C=O

> <INCHI>
InChI=1S/C3O2/c4-2-1-3-5

> <INCHIKEY>
GNEVIACKFGQMHB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
504-64-3

> <CHEMIDPLUS>
504-64-3

> <NIST_CHEMISTRY_WEBBOOK>
504-64-3

$$$$