6498
  CDK     0416232200

  7  7  0  0  0  0  0  0  0  0999 V2000
    2.3175   -0.3011    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8325   -0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -0.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9849    0.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9050    0.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300    0.9685    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  1  0  0  0  0 
  6  7  2  0  0  0  0 
M  END
> <ID>
CHEBI:194619

> <NAME>
Butadiene sulfone

> <STAR>
2

> <IUPAC_NAME>
2,5-dihydrothiophene 1,1-dioxide

> <FORMULA>
C4H6O2S

> <MASS>
118.150

> <MONOISOTOPIC_MASS>
118.00885

> <CHARGE>
0

> <SMILES>
S1(=O)(=O)CC=CC1

> <INCHI>
InChI=1S/C4H6O2S/c5-7(6)3-1-2-4-7/h1-2H,3-4H2

> <INCHIKEY>
MBDNRNMVTZADMQ-UHFFFAOYSA-N

$$$$