56841936
 OpenBabel05082101102D

 17 14  0  0  0  0  0  0  0  0999 V2000
    2.5981    1.0000    0.0000 Si  0  0  3  0  0  0  0  0  0  0  0  0
    4.3301    1.0000    0.0000 Si  0  0  3  0  0  0  0  0  0  0  0  0
    0.8660    1.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    6.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  2  0  0  0  0
  4  7  1  0  0  0  0
  4 11  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
56841936

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
167

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAPAwAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxy-silane;dihydrate

>  <PUBCHEM_IUPAC_CAS_NAME>
oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate

>  <PUBCHEM_IUPAC_NAME>
oxo-oxoalumanyloxy-[oxo(oxoalumanyloxy)silyl]oxysilane;dihydrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
oxidanylidene-oxidanylidenealumanyloxy-[oxidanylidene(oxidanylidenealumanyloxy)silyl]oxy-silane;dihydrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
keto-ketoalumanyloxy-[keto(ketoalumanyloxy)silyl]oxy-silane;dihydrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2Al.O5Si2.2H2O.2O/c;;1-6(2)5-7(3)4;;;;/h;;;2*1H2;;/q2*+1;-2;;;;

>  <PUBCHEM_IUPAC_INCHIKEY>
NLYAJNPCOHFWQQ-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
257.902462

>  <PUBCHEM_MOLECULAR_FORMULA>
Al2H4O9Si2

>  <PUBCHEM_MOLECULAR_WEIGHT>
258.16

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

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

>  <PUBCHEM_CACTVS_TPSA>
98

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
257.902462

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
13

>  <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

$$$$
