159404
  -OEChem-05042407052D

  5  0  0     0  0  0  0  0  0999 V2000
    2.8660    0.2500    0.0000 Nb  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 Li  0  3  0  0  0  0  0  0  0  0  0  0
M  CHG  5   1   5   2  -2   3  -2   4  -2   5   1
M  END
> <PUBCHEM_COMPOUND_CID>
159404

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQgAMAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
lithium;niobium(5+);oxygen(2-)

> <PUBCHEM_IUPAC_CAS_NAME>
lithium;niobium(5+);oxygen(2-)

> <PUBCHEM_IUPAC_NAME_MARKUP>
lithium;niobium(5+);oxygen(2-)

> <PUBCHEM_IUPAC_NAME>
lithium;niobium(5+);oxygen(2-)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
lithium;niobium(5+);oxygen(2-)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
lithium;niobium(5+);oxygen(2-)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Li.Nb.3O/q+1;+5;3*-2

> <PUBCHEM_IUPAC_INCHIKEY>
PSVBHJWAIYBPRO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
147.90712

> <PUBCHEM_MOLECULAR_FORMULA>
LiNbO3

> <PUBCHEM_MOLECULAR_WEIGHT>
147.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Li+].[O-2].[O-2].[O-2].[Nb+5]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Li+].[O-2].[O-2].[O-2].[Nb+5]

> <PUBCHEM_CACTVS_TPSA>
3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
147.90712

> <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>
5

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$