71587396
  -OEChem-05092408072D

 82 34  0     0  0  0  0  0  0999 V2000
   12.6892    9.4726    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.3622   10.9209    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    8.2104    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   14.3622    9.9209    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   11.0162    9.0243    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    6.2089    8.2104    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   12.9870    1.3100    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   19.7652    8.2104    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.4030   12.0205    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    6.2089   12.0205    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   12.9870    5.1200    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   19.7652   12.0205    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
   12.5540   13.9209    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   14.2861   13.9209    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   12.5540   16.4209    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   14.2861   16.4209    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   12.4870   18.9209    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
   13.6551    9.2138    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.7233    9.7314    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.3622   10.9209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.3622    9.9209    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.4304    8.5067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9480   10.4385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3622   10.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3622   11.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6312    8.7104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8531    1.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9870    0.3100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1210    1.8100    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2089    7.2104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3429    8.7104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0749    8.7104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    7.2104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5369    8.7104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    8.7104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.2750    8.0584    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   10.0503    9.2831    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.8992    8.7104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690   12.5205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5369   12.5205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0749   12.5205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3429   12.5205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2089   11.0205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.8531    5.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.1210    5.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.9870    4.1200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   20.6312   12.5205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   18.8992   12.5205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.7652   11.0205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4030   11.0205    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   19.7652    7.2104    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.6880   16.9209    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   13.4201   14.4209    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   11.6880   14.4209    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   13.4870   18.9209    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   13.4201   16.9209    0.0000 O   0  6  0  0  0  0  0  0  0  0  0  0
   21.1682    8.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3900    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4501    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5841    1.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720    6.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    8.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    8.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    8.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8366    7.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6118    8.8447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3622    8.4004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059   12.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118   12.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   12.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6720   10.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3900    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5841    5.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4501    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1682   12.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3622   12.2105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2283   10.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   10.7105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2283    6.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 22  2  0  0  0  0
  1 23  2  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 24  2  0  0  0  0
  2 25  2  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 35 66  1  0  0  0  0
 36 67  1  0  0  0  0
 37 68  1  0  0  0  0
 38 69  1  0  0  0  0
 39 70  1  0  0  0  0
 40 71  1  0  0  0  0
 41 72  1  0  0  0  0
 42 73  1  0  0  0  0
 43 74  1  0  0  0  0
 44 75  1  0  0  0  0
 45 76  1  0  0  0  0
 46 77  1  0  0  0  0
 47 78  1  0  0  0  0
 48 79  1  0  0  0  0
 49 80  1  0  0  0  0
 50 81  1  0  0  0  0
 51 82  1  0  0  0  0
M  CHG  8   3   3   4   3   5   3   6   3   7   3   8   3   9   3  10   3
M  CHG  8  11   3  12   3  13   2  14   2  15   2  16   2  17   2  18  -1
M  CHG  8  19  -1  20  -1  21  -1  26  -1  27  -1  28  -1  29  -1  30  -1
M  CHG  8  31  -1  32  -1  33  -1  34  -1  35  -1  36  -1  37  -1  38  -1
M  CHG  8  39  -1  40  -1  41  -1  42  -1  43  -1  44  -1  45  -1  46  -1
M  CHG  8  47  -1  48  -1  49  -1  50  -1  51  -1  52  -2  53  -2  54  -2
M  CHG  2  55  -2  56  -2
M  END
> <PUBCHEM_COMPOUND_CID>
71587396

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
62.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
39

> <PUBCHEM_CACTVS_HBOND_DONOR>
26

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceAAPgBgADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;disulfate

> <PUBCHEM_IUPAC_CAS_NAME>
decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;disulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;disulfate

> <PUBCHEM_IUPAC_NAME>
decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;disulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;disulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
decaaluminum;pentamagnesium;oxygen(2-);hexacosahydroxide;disulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/10Al.5Mg.2H2O4S.26H2O.5O/c;;;;;;;;;;;;;;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;;;2*(H2,1,2,3,4);26*1H2;;;;;/q10*+3;5*+2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;5*-2/p-30

> <PUBCHEM_IUPAC_INCHIKEY>
ADDMZVWMRQKLNE-UHFFFAOYSA-A

> <PUBCHEM_EXACT_MASS>
1103.689856

> <PUBCHEM_MOLECULAR_FORMULA>
Al10H26Mg5O39S2

> <PUBCHEM_MOLECULAR_WEIGHT>
1105.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Mg+2].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3]

> <PUBCHEM_CACTVS_TPSA>
208

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
1103.689856

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
56

> <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>
48

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$