16212381
  -OEChem-05142423402D

  5  3  0     0  0  0  0  0  0999 V2000
    3.0000    0.1464    0.0000 Ti  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8536    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1464    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.8536    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7071    0.8536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  3   2   2   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
16212381

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;dioxido(oxo)titanium

> <PUBCHEM_IUPAC_CAS_NAME>
calcium;dioxido(oxo)titanium

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium;dioxido(oxo)titanium

> <PUBCHEM_IUPAC_NAME>
calcium;dioxido(oxo)titanium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;bis(oxidanidyl)-oxidanylidene-titanium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;keto(dioxido)titanium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Ca.3O.Ti/q+2;;2*-1;

> <PUBCHEM_IUPAC_INCHIKEY>
AOWKSNWVBZGMTJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
135.8952754

> <PUBCHEM_MOLECULAR_FORMULA>
CaO3Ti

> <PUBCHEM_MOLECULAR_WEIGHT>
135.94

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

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

> <PUBCHEM_CACTVS_TPSA>
63.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
135.8952754

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$