61685
  -OEChem-05082410112D

  2  1  0     0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61685

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAIAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxotitanium

> <PUBCHEM_IUPAC_CAS_NAME>
oxotitanium

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxotitanium

> <PUBCHEM_IUPAC_NAME>
oxotitanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanylidenetitanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ketotitanium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/O.Ti

> <PUBCHEM_IUPAC_INCHIKEY>
OGIDPMRJRNCKJF-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
63.9428553

> <PUBCHEM_MOLECULAR_FORMULA>
OTi

> <PUBCHEM_MOLECULAR_WEIGHT>
63.866

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=[Ti]

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=[Ti]

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
63.9428553

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
2

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$