58965254
  -OEChem-05042400312D

 25 22  0     0  0  0  0  0  0999 V2000
    4.5981    1.4806    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0194    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5194    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    5.4071    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    2.0684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7045    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0333    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1629    3.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    3.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9967    1.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    1.8768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.1706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8520   -0.8854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -3.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.6394    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6200   -3.0194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  2  0  0  0  0
  4 12  1  0  0  0  0
  4 19  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
58965254

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
183

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBAPAMAAAIAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACCAAAACggAICAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethylene glycol;methoxy-oxo-phosphonooxy-phosphonium;titanium

> <PUBCHEM_IUPAC_CAS_NAME>
ethane-1,2-diol;methoxy-oxo-phosphonooxyphosphonium;titanium

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethane-1,2-diol;methoxy-oxo-phosphonooxyphosphanium;titanium

> <PUBCHEM_IUPAC_NAME>
ethane-1,2-diol;methoxy-oxo-phosphonooxyphosphanium;titanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethane-1,2-diol;methoxy-oxidanylidene-phosphonooxy-phosphanium;titanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethylene glycol;keto-methoxy-phosphonooxy-phosphonium;titanium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H6O2.CH4O6P2.Ti/c3-1-2-4;1-6-8(2)7-9(3,4)5;/h3-4H,1-2H2;1H3,(H-,3,4,5);/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
RIPGAMSGXQVBGG-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
284.9408570

> <PUBCHEM_MOLECULAR_FORMULA>
C3H11O8P2Ti+

> <PUBCHEM_MOLECULAR_WEIGHT>
284.93

> <PUBCHEM_OPENEYE_CAN_SMILES>
CO[P+](=O)OP(=O)(O)O.C(CO)O.[Ti]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CO[P+](=O)OP(=O)(O)O.C(CO)O.[Ti]

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.9408570

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6
1  5  6
1  6  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$