60196443
  -OEChem-04262409152D

 53 44  0     0  0  0  0  0  0999 V2000
    5.1535    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.3700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5380    4.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.8070    8.3700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.0759    8.3700    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9035   14.6569    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9035   12.1569    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9035    9.6569    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.9035    7.1569    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2099    7.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    8.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    4.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    3.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0749    8.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3439    8.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2099    6.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    4.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409    8.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2099    8.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    8.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    7.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    5.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4959    4.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0520    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2920    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3849    8.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5380    8.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7649    7.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3209    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9409    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5609    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6539    8.9069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8070    8.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0339    7.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5899    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2099    6.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8299    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035   14.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035   12.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035    9.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035    7.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 50  1  0  0  0  0
  7 51  1  0  0  0  0
  8 52  1  0  0  0  0
  9 53  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 11 23  1  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 24  1  0  0  0  0
 13 20  1  0  0  0  0
 13 21  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 21 48  1  0  0  0  0
 21 49  1  0  0  0  0
M  CHG  8   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1   8  -1   9  -1
M  END
> <PUBCHEM_COMPOUND_CID>
60196443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfBwPAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACBSggAICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
propan-2-olate;titanium;tetrahydroxide

> <PUBCHEM_IUPAC_CAS_NAME>
2-propanolate;titanium;tetrahydroxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
propan-2-olate;titanium;tetrahydroxide

> <PUBCHEM_IUPAC_NAME>
propan-2-olate;titanium;tetrahydroxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
propan-2-olate;titanium;tetrahydroxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
propan-2-olate;titanium;tetrahydroxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4C3H7O.4H2O.Ti/c4*1-3(2)4;;;;;/h4*3H,1-2H3;4*1H2;/q4*-1;;;;;/p-4

> <PUBCHEM_IUPAC_INCHIKEY>
FWHWYYILYUCISQ-UHFFFAOYSA-J

> <PUBCHEM_EXACT_MASS>
352.1576587

> <PUBCHEM_MOLECULAR_FORMULA>
C12H32O8Ti-8

> <PUBCHEM_MOLECULAR_WEIGHT>
352.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[OH-].[OH-].[OH-].[OH-].[Ti]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[OH-].[OH-].[OH-].[OH-].[Ti]

> <PUBCHEM_CACTVS_TPSA>
96.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
352.1576587

> <PUBCHEM_TOTAL_CHARGE>
-8

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
9

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$