26251
 OpenBabel05082101102D

 17 12  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.0000    0.0000 Zr  0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.2320    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    3.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    5.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    8.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5000    1.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.3660    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.9641    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    8.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0981    4.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3660    4.5000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3660    8.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3660    1.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 17  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 13 17  2  0  0  0  0
M  CHG  8   1   4   2  -1   3  -1   4  -1   5  -1   6  -1   7  -1   8  -1
M  CHG  5   9  -1  14   1  15   1  16   1  17   1
M  END
>  <PUBCHEM_COMPOUND_CID>
26251

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
18.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADvAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
zirconium(4+);tetranitrate

>  <PUBCHEM_IUPAC_CAS_NAME>
zirconium(4+);tetranitrate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
zirconium(4+);tetranitrate

>  <PUBCHEM_IUPAC_NAME>
zirconium(4+);tetranitrate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zirconium(4+);tetranitrate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zirconium(4+);tetranitrate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/4NO3.Zr/c4*2-1(3)4;/q4*-1;+4

>  <PUBCHEM_IUPAC_INCHIKEY>
OERNJTNJEZOPIA-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
337.85597

>  <PUBCHEM_MOLECULAR_FORMULA>
N4O12Zr

>  <PUBCHEM_MOLECULAR_WEIGHT>
339.24

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zr+4]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Zr+4]

>  <PUBCHEM_CACTVS_TPSA>
252

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
337.85597

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <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>
5

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
