73822966
  -OEChem-04232418082D

 62 60  0     0  0  0  0  0  0999 V2000
    4.0010    3.5369    0.0000 Sn  0  4  0  0  0  0  0  0  0  0  0  0
    4.0010    8.5488    0.0000 Sn  0  4  0  0  0  0  0  0  0  0  0  0
    4.8671    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    9.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    7.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    2.6196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    4.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    3.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    9.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    9.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    9.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    9.5238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    6.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    7.6565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    8.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    8.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    9.0858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    9.0858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    8.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    7.5858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    6.7388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450    6.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  6  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  7  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  9  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 10  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 13  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 14  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 18  1  0  0  0  0
 15 48  1  0  0  0  0
 15 49  1  0  0  0  0
 16 19  1  0  0  0  0
 16 50  1  0  0  0  0
 16 51  1  0  0  0  0
 17 20  1  0  0  0  0
 17 52  1  0  0  0  0
 17 53  1  0  0  0  0
 18 54  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 19 59  1  0  0  0  0
 20 60  1  0  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
M  RAD  2   1   2   2   2
M  END
> <PUBCHEM_COMPOUND_CID>
73822966

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
97.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C4H9.3C2H5.2Sn/c3*1-3-4-2;3*1-2;;/h3*1,3-4H2,2H3;3*1H2,2H3;;

> <PUBCHEM_IUPAC_INCHIKEY>
YXHMWQNEWGQQCT-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
496.13246

> <PUBCHEM_MOLECULAR_FORMULA>
C18H42Sn2

> <PUBCHEM_MOLECULAR_WEIGHT>
495.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[Sn](CCCC)CCCC.CC[Sn](CC)CC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[Sn](CCCC)CCCC.CC[Sn](CC)CC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.13306

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$