72616548
  -OEChem-04172422552D

 54 52  0     0  0  0  0  0  0999 V2000
    4.0010    0.5369    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.0488    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    0.5369    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
    5.7331    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    1.0369    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
    4.8671    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2656    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4685    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    1.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    5.0238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    3.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    3.7388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    4.5858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.5858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    3.5119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 16  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 18  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 18 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72616548

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
37.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4AAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dibutyltin

> <PUBCHEM_IUPAC_CAS_NAME>
dibutyltin

> <PUBCHEM_IUPAC_NAME_MARKUP>
dibutyltin

> <PUBCHEM_IUPAC_NAME>
dibutyltin

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dibutyltin

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dibutyltin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4C4H9.2Sn/c4*1-3-4-2;;/h4*1,3-4H2,2H3;;

> <PUBCHEM_IUPAC_INCHIKEY>
VOIHFNRUKCPOEN-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
466.08551

> <PUBCHEM_MOLECULAR_FORMULA>
C16H36Sn2

> <PUBCHEM_MOLECULAR_WEIGHT>
465.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[Sn]CCCC.CCCC[Sn]CCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[Sn]CCCC.CCCC[Sn]CCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
468.08611

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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

$$$$