7766
  CDK     0602212310

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.5080    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  8  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  8  1  0  0  0  0 
  3  8  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:173463

> <NAME>
Diethyl carbonate

> <STAR>
2

> <IUPAC_NAME>
diethyl carbonate

> <FORMULA>
C5H10O3

> <MASS>
118.132

> <MONOISOTOPIC_MASS>
118.06299

> <CHARGE>
0

> <SMILES>
O(CC)C(OCC)=O

> <INCHI>
InChI=1S/C5H10O3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3

> <INCHIKEY>
OIFBSDVPJOWBCH-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
105-58-8

> <CHEMIDPLUS>
105-58-8

$$$$