2733710
  -OEChem-04192414222D

 46 40  0     0  0  0  0  0  0999 V2000
    4.3958   -0.1545    0.0000 Ta  0  0  0  0  0  0  0  0  0  0  0  0
    5.2618    0.3455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013   -0.0500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890   -1.0680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1879    0.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1389   -0.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1278   -0.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    0.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945   -1.1726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310    1.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9310   -1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878   -2.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231    2.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742   -2.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2618    0.9655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0368   -0.5516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3535   -1.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5982    1.0152    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7286   -0.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293   -0.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5264   -0.6295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5961    1.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9513    1.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0378   -0.5541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3929   -1.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2596    0.9670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3562   -1.5695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025   -2.3276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3039   -0.1914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5308    0.6555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6839    0.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    1.5847    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    1.0329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    0.3515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0214   -1.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356   -2.6525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542   -2.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3296    2.5998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5942    3.0774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1166    2.3420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593   -2.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1349   -2.8858    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0890   -2.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 19  1  0  0  0  0
  5 10  1  0  0  0  0
  5 20  1  0  0  0  0
  6 11  1  0  0  0  0
  6 21  1  0  0  0  0
  7 12  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 14  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 16  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2733710

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
30.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethanol;tantalum

> <PUBCHEM_IUPAC_CAS_NAME>
ethanol;tantalum

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethanol;tantalum

> <PUBCHEM_IUPAC_NAME>
ethanol;tantalum

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethanol;tantalum

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethanol;tantalum

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/5C2H6O.Ta/c5*1-2-3;/h5*3H,2H2,1H3;

> <PUBCHEM_IUPAC_INCHIKEY>
WSIWGGAOWWSGHG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
411.15732

> <PUBCHEM_MOLECULAR_FORMULA>
C10H30O5Ta

> <PUBCHEM_MOLECULAR_WEIGHT>
411.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCO.CCO.CCO.CCO.CCO.[Ta]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCO.CCO.CCO.CCO.CCO.[Ta]

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
411.15732

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
6

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  2  6
1  3  6
1  4  6
1  5  6
1  6  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$