31249
  CDK     0409211652

 12 11  0  0  0  0  0  0  0  0999 V2000
    6.6509   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0787    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2219   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5076    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9365    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3652    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0797   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6498    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2  8  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  7  2  0  0  0  0 
  4  8  2  0  0  0  0 
  5  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  6  8  1  0  0  0  0 
  9 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
M  END
> <ID>
CHEBI:169507

> <NAME>
Diethyl succinate

> <STAR>
2

> <IUPAC_NAME>
diethyl butanedioate

> <FORMULA>
C8H14O4

> <MASS>
174.196

> <MONOISOTOPIC_MASS>
174.08921

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

> <INCHIKEY>
DKMROQRQHGEIOW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
123-25-1

> <CHEMIDPLUS>
123-25-1

$$$$