44409351
  -OEChem-05221321572D

 45 47  0     0  0  0  0  0  0999 V2000
    5.1602    0.4775    0.0000 Bi  0  0  0  0  0  0  0  0  0  0  0  0
    6.1112    0.1684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2091    0.1684    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3054    3.2734    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0355    1.8852    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9171    3.5433    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602   -4.5225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1602   -3.5225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1602   -3.5225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    4.5225    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1257    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    4.3013    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602   -0.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9892    1.0366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5724    1.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2941   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9791    2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8880    0.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9194    2.0342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0262   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778    1.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913    3.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7170    1.1575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2941   -2.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9901    1.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485    2.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0262   -2.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    2.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473    2.1550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602   -2.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    3.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    2.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1602   -3.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5957    2.2648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9312   -0.0202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572   -0.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3257    0.6155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    2.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5631   -0.7125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6435    3.5754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2743    0.8857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7572   -2.3325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3735    1.9262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7052    3.2119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5631   -2.3325    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 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  4 32  1  0  0  0  0
  5 32  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 33  1  0  0  0  0
  9 33  1  0  0  0  0
 10 31  1  0  0  0  0
 11 31  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 20  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 17  2  0  0  0  0
 15 21  1  0  0  0  0
 16 24  1  0  0  0  0
 16 36  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  0  0  0  0
 18 23  1  0  0  0  0
 18 35  1  0  0  0  0
 19 26  2  0  0  0  0
 19 38  1  0  0  0  0
 20 27  2  0  0  0  0
 20 39  1  0  0  0  0
 21 25  2  0  0  0  0
 21 37  1  0  0  0  0
 22 28  2  0  0  0  0
 22 40  1  0  0  0  0
 23 29  2  0  0  0  0
 23 41  1  0  0  0  0
 24 30  2  0  0  0  0
 24 42  1  0  0  0  0
 25 28  1  0  0  0  0
 25 43  1  0  0  0  0
 26 29  1  0  0  0  0
 26 44  1  0  0  0  0
 27 30  1  0  0  0  0
 27 45  1  0  0  0  0
 28 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44409351

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
574

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4AcAGAAAAAAAAACAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGQAAAAAADACAGBAwAIAAAACAAiBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dichloro-tris[4-(trifluoromethyl)phenyl]bismuth

> <PUBCHEM_IUPAC_CAS_NAME>
dichloro-tris[4-(trifluoromethyl)phenyl]bismuth

> <PUBCHEM_IUPAC_NAME>
dichloro-tris[4-(trifluoromethyl)phenyl]bismuth

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(chloranyl)-tris[4-(trifluoromethyl)phenyl]bismuth

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dichloro-tris[4-(trifluoromethyl)phenyl]bismuth

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3C7H4F3.Bi.2ClH/c3*8-7(9,10)6-4-2-1-3-5-6;;;/h3*2-5H;;2*1H/q;;;+2;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
VOZWPVZQISDWJM-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
713.997633

> <PUBCHEM_MOLECULAR_FORMULA>
C21H12BiCl2F9

> <PUBCHEM_MOLECULAR_WEIGHT>
715.192009

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
713.997633

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
13  16  8
13  20  8
14  18  8
14  19  8
15  17  8
15  21  8
16  24  8
17  22  8
18  23  8
19  26  8
20  27  8
21  25  8
22  28  8
23  29  8
24  30  8
25  28  8
26  29  8
27  30  8

$$$$