5948
  -OEChem-04242406582D

 41 40  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2321    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    1.0325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    0.2354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.7070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -2.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -1.6244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    1.1015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2070    1.8985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -1.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -2.3397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    2.7646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571    1.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -0.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062    0.3049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.8520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    3.5420    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  4  1  0  0  0  0
  1 14  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  6  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  9  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 13  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
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 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
M  END
> <PUBCHEM_COMPOUND_CID>
5948

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
72.1

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tributylstannane

> <PUBCHEM_IUPAC_CAS_NAME>
tributylstannane

> <PUBCHEM_IUPAC_NAME_MARKUP>
tributylstannane

> <PUBCHEM_IUPAC_NAME>
tributylstannane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tributylstannane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tributylstannane

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

> <PUBCHEM_IUPAC_INCHIKEY>
DBGVGMSCBYYSLD-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
292.121303

> <PUBCHEM_MOLECULAR_FORMULA>
C12H28Sn

> <PUBCHEM_MOLECULAR_WEIGHT>
291.06

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[SnH](CCCC)CCCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[SnH](CCCC)CCCC

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
292.121303

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$