27 26  0  0  0  0  0  0  0  0999 V2000
   22.2600  -26.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3800  -26.1100    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   20.5800  -26.1100    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
   19.8800  -24.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8800  -27.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1800  -26.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5704  -23.7021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8848  -22.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5728  -21.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800  -24.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0802  -24.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3897  -23.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4802  -27.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7897  -28.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3803  -28.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -27.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -24.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7800  -26.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3896  -28.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0752  -29.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3872  -30.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4800  -27.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8798  -27.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5703  -28.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4798  -24.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1703  -23.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5797  -23.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  3  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  6 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
  5 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  2 16  1  0     0  0
  2 17  1  0     0  0
  2 18  1  0     0  0
 16 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 18 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 17 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
M  END
> <ID>
CHEBI:81543

> <NAME>
Tributyltin oxide

> <STAR>
2

> <SYNONYM>
TBTO

> <FORMULA>
C24H54OSn2

> <MASS>
596.10500

> <MONOISOTOPIC_MASS>
598.22187

> <CHARGE>
0

> <SMILES>
CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC

> <INCHI>
InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;

> <INCHIKEY>
APQHKWPGGHMYKJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
56-35-9

> <KEGG_COMPOUND_ACCESSION>
C18149

$$$$