59975178
  -OEChem-04262408422D

 46 43  0     0  0  0  0  0  0999 V2000
    8.0622    3.9806    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4806    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.9806    0.0000 P   0  3  0  0  0  0  0  0  0  0  0  0
    8.8712    4.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    4.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    1.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    3.3466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    5.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    5.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.9368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.6271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -2.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -1.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -0.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.1271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -5.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -4.9118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1686    5.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4974    6.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6270    6.1360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9557    5.6483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.1020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    4.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6635    4.3768    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.9825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.0564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    1.6146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  2  0  0  0  0
  4 18  1  0  0  0  0
  4 40  1  0  0  0  0
  5 19  1  0  0  0  0
  5 41  1  0  0  0  0
  6 45  1  0  0  0  0
  7 20  1  0  0  0  0
  9 46  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 20  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 21  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
59975178

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
278

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwPAMAAAIAAAAAAAAAAAAAASAAAAAAAAAAAAAAAAAAAAAAGgAACCAACACggAICAAAAAxAAQAAAAIAAAAAAAAAAAAAAAAABEAIAAAAAAAAEAAABAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H18O6P2.C2H6O2.Ti/c1-2-3-4-5-6-7-8-13-15(9)14-16(10,11)12;3-1-2-4;/h2-8H2,1H3,(H-,10,11,12);3-4H,1-2H2;/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
LWOKXRYVRUVCBO-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
383.0504074

> <PUBCHEM_MOLECULAR_FORMULA>
C10H25O8P2Ti+

> <PUBCHEM_MOLECULAR_WEIGHT>
383.12

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

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

> <PUBCHEM_CACTVS_TPSA>
134

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.0504074

> <PUBCHEM_TOTAL_CHARGE>
1

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

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

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$