Mrv1652306031608542D          

 22 18  0  0  0  0            999 V2000
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8591    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5723    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1446   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2867   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4301    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0012    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7157   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4812   -3.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0688   -2.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -1.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7563   -2.5707    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3062   -3.2852    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -1.5813   -2.5707    0.0000 Sn  0  2  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  8  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
M  CHG  3  20  -1  21  -1  22   2
M  RAD  2   1   2   9   2
M  END
> <DATABASE_ID>
CHEM045183

> <DATABASE_NAME>
chemdb

> <SMILES>
[Sn++].[O-]C(=O)C[S-].[CH2]CCCCCCC.[CH2]CCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/2C8H17.C2H4O2S.Sn/c2*1-3-5-7-8-6-4-2;3-2(4)1-5;/h2*1,3-8H2,2H3;5H,1H2,(H,3,4);/q;;;+2/p-2

> <INCHI_KEY>
KEUUHXDTZRYITO-UHFFFAOYSA-L

> <FORMULA>
C18H36O2SSn

> <MOLECULAR_WEIGHT>
435.25

> <EXACT_MASS>
436.145804

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
16.12638032846635

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <ALOGPS_LOGP>
4.73

> <JCHEM_LOGP>
3.6947

> <ALOGPS_LOGS>
-4.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
37.518

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.37e-03 g/l

> <JCHEM_VEBER_RULE>
0

> <NAME>
2,2-dioctyl-1,3,2-oxathiastannolan-5-one

> <CAS>
15535-79-2

$$$$