71587261
  -OEChem-04252404242D

 22 10  0     0  0  0  0  0  0999 V2000
    6.7089    1.3060    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    1.4030    3.7565    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.2089    5.0131    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.2089    7.5131    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    6.7089    2.3060    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7089    1.3060    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0018    3.0131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.2565    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.4160    0.5989    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.2565    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0749    5.5131    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.0749    8.0131    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3429    8.0131    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3429    5.5131    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7089    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2555    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    3.9465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    5.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6118    7.7031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    7.7031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    5.2031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5 15  1  0  0  0  0
  6 15  1  0  0  0  0
  7 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
M  CHG  8   1   3   2   2   3   2   4   2   5  -1   6  -1   8  -1   9  -1
M  CHG  5  10  -1  11  -1  12  -1  13  -1  14  -1
M  END
> <PUBCHEM_COMPOUND_CID>
71587261

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAPAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAgAACAAAAAAAAAAACAAAAAAIAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
aluminum;trimagnesium;carbonate;heptahydroxide

> <PUBCHEM_IUPAC_CAS_NAME>
aluminum;trimagnesium;carbonate;heptahydroxide

> <PUBCHEM_IUPAC_NAME_MARKUP>
aluminum;trimagnesium;carbonate;heptahydroxide

> <PUBCHEM_IUPAC_NAME>
aluminum;trimagnesium;carbonate;heptahydroxide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
aluminum;trimagnesium;carbonate;heptahydroxide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
aluminum;trimagnesium;carbonate;heptahydroxide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2O3.Al.3Mg.7H2O/c2-1(3)4;;;;;;;;;;;/h(H2,2,3,4);;;;;7*1H2/q;+3;3*+2;;;;;;;/p-9

> <PUBCHEM_IUPAC_INCHIKEY>
FIUBOPPLFYFRMW-UHFFFAOYSA-E

> <PUBCHEM_EXACT_MASS>
277.9405849

> <PUBCHEM_MOLECULAR_FORMULA>
CH7AlMg3O10

> <PUBCHEM_MOLECULAR_WEIGHT>
278.96

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

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

> <PUBCHEM_CACTVS_TPSA>
70.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.9405849

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
12

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$