60196425
  -OEChem-05082406012D

 71 70  0     1  0  0  0  0  0999 V2000
    8.0622    0.0000    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.0000    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
   10.6603    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5263    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.0000    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
   12.1603   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.0000    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
    2.8660   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    1.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9938    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.0251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5776   -0.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2679   -0.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5467    0.5781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8564    0.9766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6972    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8503    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6233    1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4272   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5010   -1.0560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603   -0.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7803   -0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1603    0.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    0.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -0.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8144   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4344    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991   -0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0252    0.5560    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 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 11  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 15  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 20  1  0  0  0  0
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 12 37  1  0  0  0  0
 13 21  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 22  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
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 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 24 60  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 25 65  1  0  0  0  0
 26 66  1  0  0  0  0
 26 67  1  0  0  0  0
 26 68  1  0  0  0  0
 27 69  1  0  0  0  0
 27 70  1  0  0  0  0
 27 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60196425

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADwCAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyFAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(2-ethyl-2,5-dimethyl-hexanoyl)oxy-dimethyl-stannyl] 2-ethyl-2,5-dimethyl-hexanoate

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethyl-2,5-dimethylhexanoic acid [(2-ethyl-2,5-dimethyl-1-oxohexoxy)-dimethylstannyl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(2-ethyl-2,5-dimethylhexanoyl)oxy-dimethylstannyl] 2-ethyl-2,5-dimethylhexanoate

> <PUBCHEM_IUPAC_NAME>
[(2-ethyl-2,5-dimethylhexanoyl)oxy-dimethylstannyl] 2-ethyl-2,5-dimethylhexanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(2-ethyl-2,5-dimethyl-hexanoyl)oxy-dimethyl-stannyl] 2-ethyl-2,5-dimethyl-hexanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-ethyl-2,5-dimethyl-hexanoic acid [(2-ethyl-2,5-dimethyl-hexanoyl)oxy-dimethyl-stannyl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C10H20O2.2CH3.Sn/c2*1-5-10(4,9(11)12)7-6-8(2)3;;;/h2*8H,5-7H2,1-4H3,(H,11,12);2*1H3;/q;;;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
FNOYRGNLNVKVJN-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
492.226162

> <PUBCHEM_MOLECULAR_FORMULA>
C22H44O4Sn

> <PUBCHEM_MOLECULAR_WEIGHT>
491.3

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

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

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
492.226162

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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

> <PUBCHEM_BONDANNOTATIONS>
6  16  3
7  17  3

$$$$