16682740
  -OEChem-04192414122D

 41 40  0     0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730   -1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730   -0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -1.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1231   -2.1306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    2.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6231    2.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730   -2.9966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730   -2.1996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9081    4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.1541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2881   -4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.7741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 14  2  0  0  0  0
  5 15  2  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 12  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16682740

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
227

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[acetoxy(dibutyl)stannyl] acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid [acetyloxy(dibutyl)stannyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[acetyloxy(dibutyl)stannyl] acetate

> <PUBCHEM_IUPAC_NAME>
[acetyloxy(dibutyl)stannyl] acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[acetyloxy(dibutyl)stannyl] ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid [acetoxy(dibutyl)stannyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C4H9.2C2H4O2.Sn/c2*1-3-4-2;2*1-2(3)4;/h2*1,3-4H2,2H3;2*1H3,(H,3,4);/q;;;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
JJLKTTCRRLHVGL-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
352.069662

> <PUBCHEM_MOLECULAR_FORMULA>
C12H24O4Sn

> <PUBCHEM_MOLECULAR_WEIGHT>
351.03

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.069662

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$