26053
  -OEChem-05132412202D

 13  9  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 Al  0  1  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2 11  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
M  CHG  8   1   3   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1  11   1
M  CHG  2  12   1  13   1
M  END
> <PUBCHEM_COMPOUND_CID>
26053

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADPAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
aluminum;trinitrate

> <PUBCHEM_IUPAC_CAS_NAME>
aluminum;trinitrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
aluminum;trinitrate

> <PUBCHEM_IUPAC_NAME>
aluminum;trinitrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
aluminum;trinitrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
aluminum;trinitrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Al.3NO3/c;3*2-1(3)4/q+3;3*-1

> <PUBCHEM_IUPAC_INCHIKEY>
JLDSOYXADOWAKB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
212.9449920

> <PUBCHEM_MOLECULAR_FORMULA>
AlN3O9

> <PUBCHEM_MOLECULAR_WEIGHT>
213.00

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

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

> <PUBCHEM_CACTVS_TPSA>
189

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.9449920

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$