15096
  -OEChem-05102418032D

 41 40  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2990    0.0000 Sn  0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -2.1651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.7740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.8241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.8241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9390    0.0345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9390    0.8315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.2740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892    1.6976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892    0.9005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.8551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    2.7020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.4751    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  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  8  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  9  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 11  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15096

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
104

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwAAAEAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tributyl(chloro)stannane

> <PUBCHEM_IUPAC_CAS_NAME>
tributyl(chloro)stannane

> <PUBCHEM_IUPAC_NAME_MARKUP>
tributyl(chloro)stannane

> <PUBCHEM_IUPAC_NAME>
tributyl(chloro)stannane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tributyl(chloranyl)stannane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tributyl(chloro)stannane

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

> <PUBCHEM_IUPAC_INCHIKEY>
GCTFWCDSFPMHHS-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
326.082331

> <PUBCHEM_MOLECULAR_FORMULA>
C12H27ClSn

> <PUBCHEM_MOLECULAR_WEIGHT>
325.50

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[Sn](CCCC)(CCCC)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[Sn](CCCC)(CCCC)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.082331

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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

$$$$