16682953
  -OEChem-04262406512D

 41 43  0     0  0  0  0  0  0999 V2000
    4.7057    0.0000    0.0000 Pb  0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    1.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2057    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2057   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8397    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2057   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    0.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7057    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8957    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8957   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3028    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5157   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7057    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3257   -0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6015    0.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5250   -0.6993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3985   -0.7757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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 19  1  0  0  0  0
  3 19  2  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 24  1  0  0  0  0
  8 14  1  0  0  0  0
  8 25  1  0  0  0  0
  9 15  1  0  0  0  0
  9 26  1  0  0  0  0
 10 16  2  0  0  0  0
 10 27  1  0  0  0  0
 11 17  2  0  0  0  0
 11 28  1  0  0  0  0
 12 18  2  0  0  0  0
 12 29  1  0  0  0  0
 13 20  2  0  0  0  0
 13 30  1  0  0  0  0
 14 21  2  0  0  0  0
 14 31  1  0  0  0  0
 15 22  2  0  0  0  0
 15 32  1  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 17 34  1  0  0  0  0
 18 22  1  0  0  0  0
 18 35  1  0  0  0  0
 19 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16682953

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
332

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4MAAAAAAAAAAAAEAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgAAAAAACACAkAAyCIAAAACIACDSCAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
triphenylplumbyl acetate

> <PUBCHEM_IUPAC_CAS_NAME>
acetic acid triphenylplumbyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
triphenylplumbyl acetate

> <PUBCHEM_IUPAC_NAME>
triphenylplumbyl acetate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
triphenylplumbyl ethanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
acetic acid triphenylplumbyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C6H5.C2H4O2.Pb/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
UXLLXTLQVAJJIB-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
498.10733

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18O2Pb

> <PUBCHEM_MOLECULAR_WEIGHT>
497

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
26.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
498.10733

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  8
11  17  8
12  18  8
13  20  8
14  21  8
15  22  8
16  20  8
17  21  8
18  22  8
4  10  8
4  7  8
5  11  8
5  8  8
6  12  8
6  9  8
7  13  8
8  14  8
9  15  8

$$$$