Ketcher 08031514222D 1   1.00000     0.00000     0

 14 13  0     0  0            999 V2000
   10.4646  -11.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3340  -11.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1966  -11.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0592  -11.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9286  -11.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4646  -10.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5953  -11.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9286  -10.3556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7979  -11.8534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3340  -12.8565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7258  -11.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8567  -11.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6673  -11.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5364  -11.8534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  7  1  1  0     0  0
  6  1  2  0     0  0
  3  2  1  0     0  0
 10  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  9  5  1  0     0  0
  8  5  2  0     0  0
 11  7  1  0     0  0
 13  9  1  0     0  0
 12 11  1  0     0  0
 14 13  1  0     0  0
M  END
> <ID>
CHEBI:87295

> <NAME>
diethyl 2-hydroxypentanedioate

> <DEFINITION>
A diester obtained by the formal condensation of both the carboxy groups of 2-hydroxyglutaric acid with two molecules of ethanol respectively.

> <STAR>
3

> <SYNONYM>
diethyl 2-hydroxyglutarate; 2-hydroxyglutaric acid diethyl ester

> <IUPAC_NAME>
diethyl 2-hydroxypentanedioate

> <FORMULA>
C9H16O5

> <MASS>
204.22030

> <MONOISOTOPIC_MASS>
204.09977

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H16O5/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7,10H,3-6H2,1-2H3

> <INCHIKEY>
DYLHSDCNOUDICA-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
1726673

$$$$