21124601
  -OEChem-04242411442D

 38 32  0     0  0  0  0  0  0999 V2000
    4.0010    0.4749    0.0000 Ti  0  2  0  0  0  0  0  0  0  0  0  0
    4.0010    3.9248    0.0000 Ti  0  2  0  0  0  0  0  0  0  0  0  0
    0.5369    3.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    3.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    0.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.4248    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1350    0.9749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8671    4.4248    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8671    0.9749    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    4.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    4.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    4.8998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9976    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2006    1.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8705    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    3.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3346    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1316    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    4.2348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    0.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 11  1  0  0  0  0
  3 35  1  0  0  0  0
  4 12  1  0  0  0  0
  4 36  1  0  0  0  0
  5 13  1  0  0  0  0
  5 37  1  0  0  0  0
  6 14  1  0  0  0  0
  6 38  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 17  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
M  CHG  6   1   2   2   2   7  -1   8  -1   9  -1  10  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21124601

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-hydroxyethanolate;titanium(2+)

> <PUBCHEM_IUPAC_CAS_NAME>
2-hydroxyethanolate;titanium(2+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-hydroxyethanolate;titanium(2+)

> <PUBCHEM_IUPAC_NAME>
2-hydroxyethanolate;titanium(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-oxidanylethanolate;titanium(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-hydroxyethanolate;titanium(2+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4C2H5O2.2Ti/c4*3-1-2-4;;/h4*3H,1-2H2;;/q4*-1;2*+2

> <PUBCHEM_IUPAC_INCHIKEY>
SOUWCLMSSLRYQT-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
340.011699

> <PUBCHEM_MOLECULAR_FORMULA>
C8H20O8Ti2

> <PUBCHEM_MOLECULAR_WEIGHT>
339.97

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(C[O-])O.C(C[O-])O.C(C[O-])O.C(C[O-])O.[Ti+2].[Ti+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C[O-])O.C(C[O-])O.C(C[O-])O.C(C[O-])O.[Ti+2].[Ti+2]

> <PUBCHEM_CACTVS_TPSA>
173

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
340.011699

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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_COORDINATE_TYPE>
1
5
255

$$$$