12045806
  CDK     0409211652

 15 17  0  0  0  0  0  0  0  0999 V2000
    2.0817    2.0308    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -1.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -0.8894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0561   -1.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236   -1.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -2.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -2.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7236   -0.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6436   -0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4686   -0.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1587    0.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942    1.3163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    1.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3875    2.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338    2.6439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0 
  1 15  1  0  0  0  0 
  2  4  1  0  0  0  0 
  2  7  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  8  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
M  END
> <ID>
CHEBI:169717

> <NAME>
2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene

> <STAR>
2

> <IUPAC_NAME>
(2E)-2-(thiophen-2-ylmethylidene)-1,6-dioxaspiro[4.4]non-3-ene

> <FORMULA>
C12H12O2S

> <MASS>
220.290

> <MONOISOTOPIC_MASS>
220.05580

> <CHARGE>
0

> <SMILES>
S1C(\C=C/2\OC3(OCCC3)C=C2)=CC=C1

> <INCHI>
InChI=1S/C12H12O2S/c1-3-11(15-8-1)9-10-4-6-12(14-10)5-2-7-13-12/h1,3-4,6,8-9H,2,5,7H2/b10-9+

> <INCHIKEY>
LLZQYUSTIRVCPF-MDZDMXLPSA-N

$$$$