Ketcher 11131513232D 1   1.00000     0.00000     0

 14 16  0     0  0            999 V2000
   13.6296   -9.1439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9191   -9.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3092  -10.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2194  -10.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6099   -8.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9402   -8.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9783  -10.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5473  -10.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2738   -9.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2681   -9.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9547  -10.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5642  -10.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7517  -12.2368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7558  -11.2330    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0     0  0
  1  5  1  0     0  0
  2  4  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  6 10  2  0     0  0
  7 11  2  0     0  0
  8 12  2  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
 10 12  1  0     0  0
 11 14  1  0     0  0
 12 14  1  0     0  0
 13 14  2  0     0  0
M  END
> <ID>
CHEBI:23683

> <NAME>
dibenzothiophene 5-oxide

> <DEFINITION>
A member of the class of dibenzothiophenes that is the 5-oxo derivative of dibenzothiophene.

> <STAR>
3

> <SYNONYM>
dibenzothiophene 5-oxide; DBTO

> <IUPAC_NAME>
dibenzo[b,d]thiophene 5-oxide

> <FORMULA>
C12H8OS

> <MASS>
200.258

> <MONOISOTOPIC_MASS>
200.02959

> <CHARGE>
0

> <SMILES>
C1=CC=C2C(=C1)C3=CC=CC=C3S2=O

> <INCHI>
InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H

> <INCHIKEY>
NGDPCAMPVQYGCW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
1013-23-6

> <REAXYS_REGISTRY_NUMBER>
126504

> <CHEMIDPLUS>
1013-23-6

$$$$