73822975
  -OEChem-05102418272D

 71 68  0     0  0  0  0  0  0999 V2000
    7.0749    2.0369    0.0000 Sn  0  4  0  0  0  0  0  0  0  0  0  0
    7.0749    8.1939    0.0000 Sn  0  4  0  0  0  0  0  0  0  0  0  0
    1.4030    4.6569    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    8.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    8.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    7.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8070    8.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    9.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    8.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    9.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    6.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    6.6939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    1.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    1.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0749    0.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4040    9.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    9.0039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    7.5039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4970    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1170    2.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5609    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409    4.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3209    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0329    2.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6529    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8289    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089    4.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    3.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8989    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5189    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6309    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4779    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2509    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4970    7.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3439    7.8839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1170    8.7308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5609    9.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9409   10.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3209    9.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0329    8.7308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    7.8839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6529    7.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8289    9.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2089   10.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5889    9.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8989    7.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.3839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5189    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6309    6.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4779    6.3839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2509    7.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    4.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    5.4669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    5.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.6939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.6200    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  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 24  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 26  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 27  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 28  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 51  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
 21 63  1  0  0  0  0
 21 64  1  0  0  0  0
 21 65  1  0  0  0  0
 22 66  1  0  0  0  0
 22 67  1  0  0  0  0
 22 68  1  0  0  0  0
 23 69  1  0  0  0  0
 23 70  1  0  0  0  0
 23 71  1  0  0  0  0
M  RAD  2   1   2   2   2
M  END
> <PUBCHEM_COMPOUND_CID>
73822975

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
68.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/6C3H7.2CH3.3Sn/c6*1-3-2;;;;;/h6*3H,1-2H3;2*1H3;;;

> <PUBCHEM_IUPAC_INCHIKEY>
JXPQLXRVOKZDRA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
646.08161

> <PUBCHEM_MOLECULAR_FORMULA>
C20H48Sn3

> <PUBCHEM_MOLECULAR_WEIGHT>
644.7

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
648.08221

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$