26256
  -OEChem-04262415442D

 15  6  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 Fe  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  4  5  2  0  0  0  0
  6 11  3  0  0  0  0
  7 12  3  0  0  0  0
  8 13  3  0  0  0  0
  9 14  3  0  0  0  0
 10 15  3  0  0  0  0
M  CHG  8   2   1   3   1   5  -1  11  -1  12  -1  13  -1  14  -1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
26256

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
119

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjoDAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAEAAAAAAAAAAAAAAAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
disodium;iron;nitroxyl anion;pentacyanide

> <PUBCHEM_IUPAC_CAS_NAME>
disodium;iron;nitroxyl anion;pentacyanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
disodium;iron;nitroxyl anion;pentacyanide

> <PUBCHEM_IUPAC_NAME>
disodium;iron;nitroxyl anion;pentacyanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
disodium;iron;oxoazanide;pentacyanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
disodium;iron;nitroxyl anion;pentacyanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/5CN.Fe.NO.2Na/c5*1-2;;1-2;;/q5*-1;;-1;2*+1

> <PUBCHEM_IUPAC_INCHIKEY>
BEHXAXWKTXYOGJ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
261.927833

> <PUBCHEM_MOLECULAR_FORMULA>
C5FeN6Na2O-4

> <PUBCHEM_MOLECULAR_WEIGHT>
261.92

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.[Na+].[Na+].[Fe]

> <PUBCHEM_CACTVS_TPSA>
137

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
261.927833

> <PUBCHEM_TOTAL_CHARGE>
-4

> <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>
9

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  11  6
1  12  6
1  13  6
1  14  6
1  15  6
1  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$