Marvin  08300711332D          

 19 20  0  0  0  0            999 V2000
   -1.6875    2.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9730    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020    0.9625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4020    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8309    2.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5454    1.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8309    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1164    0.5500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020   -1.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020   -2.3375    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.5454    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2598    2.6125    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  2  0  0  0  0
 16  8  1  0  0  0  0
  8  9  2  0  0  0  0
 13 10  2  0  0  0  0
 10 14  1  0  0  0  0
 11 18  1  0  0  0  0
 11 14  2  0  0  0  0
 18 12  2  0  0  0  0
 12 13  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <ID>
CHEBI:39413

> <NAME>
4,4'-dichlorobenzilic acid

> <STAR>
3

> <IUPAC_NAME>
bis(4-chlorophenyl)(hydroxy)acetic acid

> <FORMULA>
C14H10Cl2O3

> <MASS>
297.13280

> <MONOISOTOPIC_MASS>
296.00070

> <CHARGE>
0

> <SMILES>
OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1

> <INCHI>
InChI=1S/C14H10Cl2O3/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H,17,18)

> <INCHIKEY>
LXFMMUDXRIMBHN-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
2383632

> <CAS_REGISTRY_NUMBER>
23851-46-9

> <CHEMIDPLUS>
23851-46-9

$$$$