517273
  -OEChem-05012417192D

 11  8  0     0  0  0  0  0  0999 V2000
    1.7320    0.5000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.5000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.5000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1951    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
517273

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
52.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAgAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dioxosilane;oxo(oxoalumanyloxy)alumane;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
dioxosilane;oxo(oxoalumanyloxy)alumane;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dioxosilane;oxo(oxoalumanyloxy)alumane;hydrate

> <PUBCHEM_IUPAC_NAME>
dioxosilane;oxo(oxoalumanyloxy)alumane;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(oxidanylidene)silane;oxidanylidene(oxidanylidenealumanyloxy)alumane;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diketosilane;keto(ketoalumanyloxy)alumane;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Al.O2Si.H2O.3O/c;;1-3-2;;;;/h;;;1H2;;;

> <PUBCHEM_IUPAC_INCHIKEY>
SVPXDRXYRYOSEX-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
179.925141

> <PUBCHEM_MOLECULAR_FORMULA>
Al2H2O6Si

> <PUBCHEM_MOLECULAR_WEIGHT>
180.06

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

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

> <PUBCHEM_CACTVS_TPSA>
78.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
179.925141

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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_COORDINATE_TYPE>
1
5
255

$$$$