14769
  -OEChem-09272320472D

  5  4  0     0  0  0  0  0  0999 V2000
    4.5981    0.2500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14769

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
34.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
oxo(oxoalumanyloxy)alumane

> <PUBCHEM_IUPAC_CAS_NAME>
oxo(oxoalumanyloxy)alumane

> <PUBCHEM_IUPAC_NAME_MARKUP>
oxo(oxoalumanyloxy)alumane

> <PUBCHEM_IUPAC_NAME>
oxo(oxoalumanyloxy)alumane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanylidene(oxidanylidenealumanyloxy)alumane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
keto(ketoalumanyloxy)alumane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Al.3O

> <PUBCHEM_IUPAC_INCHIKEY>
TWNQGVIAIRXVLR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
101.947821

> <PUBCHEM_MOLECULAR_FORMULA>
Al2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
101.961

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=[Al]O[Al]=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=[Al]O[Al]=O

> <PUBCHEM_CACTVS_TPSA>
43.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
101.947821

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$