50935341
  -OEChem-05062420512D

 92 90  0     0  0  0  0  0  0999 V2000
    5.3001    3.5369    0.0000 Sn  0  4  0  0  0  0  0  0  0  0  0  0
    0.5369    8.0119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1661    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3001    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0321    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8982    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4340    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7642    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5680    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    8.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   12.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   12.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    8.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   11.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    9.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   13.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632   10.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0632    9.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651   14.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5646    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7676    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8326    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5121    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9107    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6336    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4306    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1695    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2220    2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2967    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4996    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1005    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0446    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    7.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    7.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    8.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6025    8.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4542    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0742    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2580    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0311    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8780    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    7.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    7.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8637    8.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0666    8.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    8.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    8.4868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    6.8919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8078   11.9042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4092   12.5945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7206   12.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1191   11.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    7.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5866   11.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9851   10.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9851    9.5945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5866    8.9042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9417   13.4042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5432   14.0945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6002   10.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6002    9.2019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751   14.5488    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282   14.3219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551   13.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2 28  1  0  0  0  0
  2 92  1  0  0  0  0
  3 28  2  0  0  0  0
  4  7  1  0  0  0  0
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  7 10  1  0  0  0  0
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  8 11  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 12  1  0  0  0  0
  9 44  1  0  0  0  0
  9 45  1  0  0  0  0
 10 17  1  0  0  0  0
 10 46  1  0  0  0  0
 10 47  1  0  0  0  0
 11 18  1  0  0  0  0
 11 48  1  0  0  0  0
 11 49  1  0  0  0  0
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 12 51  1  0  0  0  0
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 13 15  1  0  0  0  0
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 13 53  1  0  0  0  0
 14 16  1  0  0  0  0
 14 54  1  0  0  0  0
 14 55  1  0  0  0  0
 15 20  1  0  0  0  0
 15 56  1  0  0  0  0
 15 57  1  0  0  0  0
 16 21  1  0  0  0  0
 16 58  1  0  0  0  0
 16 59  1  0  0  0  0
 17 60  1  0  0  0  0
 17 61  1  0  0  0  0
 17 62  1  0  0  0  0
 18 63  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 19 68  1  0  0  0  0
 20 22  1  0  0  0  0
 20 69  1  0  0  0  0
 20 70  1  0  0  0  0
 21 23  1  0  0  0  0
 21 71  1  0  0  0  0
 21 72  1  0  0  0  0
 22 28  1  0  0  0  0
 22 73  1  0  0  0  0
 22 74  1  0  0  0  0
 23 26  2  0  0  0  0
 23 75  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 76  1  0  0  0  0
 24 77  1  0  0  0  0
 25 30  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 26 29  1  0  0  0  0
 26 80  1  0  0  0  0
 27 31  1  0  0  0  0
 27 81  1  0  0  0  0
 27 82  1  0  0  0  0
 29 32  1  0  0  0  0
 29 83  1  0  0  0  0
 29 84  1  0  0  0  0
 30 33  1  0  0  0  0
 30 85  1  0  0  0  0
 30 86  1  0  0  0  0
 31 32  2  0  0  0  0
 31 87  1  0  0  0  0
 32 88  1  0  0  0  0
 33 89  1  0  0  0  0
 33 90  1  0  0  0  0
 33 91  1  0  0  0  0
M  RAD  1   1   2
M  END
> <PUBCHEM_COMPOUND_CID>
50935341

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
23

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgCIACDSCAAAAAAgAAAICAEAAAgAABIAAQAAQAAEgAAIAAOIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H32O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/b7-6-,10-9-;;;;

> <PUBCHEM_IUPAC_INCHIKEY>
OBKQNCFGJZVTSE-YLLHCXABSA-N

> <PUBCHEM_EXACT_MASS>
571.353709

> <PUBCHEM_MOLECULAR_FORMULA>
C30H59O2Sn

> <PUBCHEM_MOLECULAR_WEIGHT>
570.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCC=CCC=CCCCCCCCC(=O)O.CCCC[Sn](CCCC)CCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.CCCC[Sn](CCCC)CCCC

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
571.353709

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$