11402127
  -OEChem-05112411412D

 11  8  0     0  0  0  0  0  0999 V2000
    4.5981   -0.0600    0.0000 Cd  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4400    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0600    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
M  CHG  4   4  -1   5  -1   8   1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
11402127

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
66

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADOAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAECAAAAAAAAAAAAAAAQAABAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cadmium;nitric acid

> <PUBCHEM_IUPAC_CAS_NAME>
cadmium;nitric acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
cadmium;nitric acid

> <PUBCHEM_IUPAC_NAME>
cadmium;nitric acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cadmium;nitric acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cadmium;nitric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cd.2HNO3/c;2*2-1(3)4/h;2*(H,2,3,4)

> <PUBCHEM_IUPAC_INCHIKEY>
OQWUFYSTEGTOID-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
239.894651

> <PUBCHEM_MOLECULAR_FORMULA>
CdH2N2O6

> <PUBCHEM_MOLECULAR_WEIGHT>
238.44

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

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

> <PUBCHEM_CACTVS_TPSA>
132

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
239.894651

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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_NONSTANDARDBOND>
1  2  6
1  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$