69032
  CDK     0416232200

 11 11  0  0  0  0  0  0  0  0999 V2000
    2.4751    0.6188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3001    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  1  3  2  0  0  0  0 
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  2  0  0  0  0 
  5  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 11  2  0  0  0  0 
 10 11  1  0  0  0  0 
M  END
> <ID>
CHEBI:194780

> <NAME>
Ethyl phenyl sulfone

> <STAR>
2

> <IUPAC_NAME>
ethylsulonylbenzene

> <FORMULA>
C8H10O2S

> <MASS>
170.230

> <MONOISOTOPIC_MASS>
170.04015

> <CHARGE>
0

> <SMILES>
S(=O)(=O)(CC)C1=CC=CC=C1

> <INCHI>
InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

> <INCHIKEY>
VBQUDDWATQWCPP-UHFFFAOYSA-N

> <KEGG_DRUG_ACCESSION>
D90513

$$$$