3032541
 OpenBabel05082101102D

  7  4  0  0  0  0  0  0  0  0999 V2000
    1.0000    1.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    0.7500    4.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0000    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  2  0  0  0  0
M  CHG  5   2   3   3   1   4  -1   5  -1   6  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
3032541

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
36.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOCIAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAABAAQAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
aluminum;sodium;phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
aluminum;sodium;phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
aluminum;sodium;phosphate

>  <PUBCHEM_IUPAC_NAME>
aluminum;sodium;phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
aluminum;sodium;phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
aluminum;sodium;phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/Al.Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q+3;+1;/p-3

>  <PUBCHEM_IUPAC_INCHIKEY>
GHHVYBBTKTVOPA-UHFFFAOYSA-K

>  <PUBCHEM_EXACT_MASS>
144.924728

>  <PUBCHEM_MOLECULAR_FORMULA>
AlNaO4P+

>  <PUBCHEM_MOLECULAR_WEIGHT>
144.943

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-]P(=O)([O-])[O-].[Na+].[Al+3]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-]P(=O)([O-])[O-].[Na+].[Al+3]

>  <PUBCHEM_CACTVS_TPSA>
86.2

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
144.924728

>  <PUBCHEM_TOTAL_CHARGE>
1

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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

$$$$
