Marvin  08300711462D          

 17 18  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
   -4.5454    2.2000    0.0000 C   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 17  1  0  0  0  0
 11 14  2  0  0  0  0
 17 12  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:39414

> <NAME>
benzilic acid

> <STAR>
3

> <SYNONYM>
diphenylglycolic acid; Benzilsaeure; alpha-phenylmandelic acid; alpha-hydroxy-alpha-phenylbenzeneacetic acid; alpha-hydroxy-2,2-diphenylacetic acid; alpha,alpha-diphenylglycolic acid; alpha,alpha-diphenyl-alpha-hydroxyacetic acid; acide diphenylhydroxyacetique; 2-hydroxy-2,2-diphenylacetic acid

> <IUPAC_NAME>
hydroxy(diphenyl)acetic acid

> <FORMULA>
C14H12O3

> <MASS>
228.24328

> <MONOISOTOPIC_MASS>
228.07864

> <CHARGE>
0

> <SMILES>
OC(=O)C(O)(c1ccccc1)c1ccccc1

> <INCHI>
InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)

> <INCHIKEY>
UKXSKSHDVLQNKG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
521402

> <CAS_REGISTRY_NUMBER>
76-93-7

> <GMELIN_REGISTRY_NUMBER>
281752

> <CHEMIDPLUS>
76-93-7

> <NIST_CHEMISTRY_WEBBOOK>
76-93-7

$$$$