26129
 OpenBabel05082101102D

 17  6  0  0  0  0  0  0  0  0999 V2000
    3.8508   -0.1471    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    5.5829   -0.1471    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.2232   -0.7394    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.9848    1.3529    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.7169   -1.6471    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    4.7169    1.3529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5501   -1.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848   -1.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    1.8529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829   -1.1471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169    0.3529    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.2080   -0.9131    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9848    0.3529    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.8508   -1.1471    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.8508    0.8529    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.7169   -0.6471    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  6 12  3  0  0  0  0
  7 13  3  0  0  0  0
  8 14  3  0  0  0  0
  9 15  3  0  0  0  0
 10 16  3  0  0  0  0
 11 17  3  0  0  0  0
M  CHG  8   1   2   2   1   3   1   4   1   5   1  12  -1  13  -1  14  -1
M  CHG  3  15  -1  16  -1  17  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
26129

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
127

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBjgDAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ferrous;tetrasodium;hexacyanide

>  <PUBCHEM_IUPAC_CAS_NAME>
tetrasodium;iron(2+);hexacyanide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
tetrasodium;iron(2+);hexacyanide

>  <PUBCHEM_IUPAC_NAME>
tetrasodium;iron(2+);hexacyanide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetrasodium;iron(2+);hexacyanide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ferrous;tetrasodium;hexacyanide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/6CN.Fe.4Na/c6*1-2;;;;;/q6*-1;+2;4*+1

>  <PUBCHEM_IUPAC_INCHIKEY>
GTSHREYGKSITGK-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
303.912457

>  <PUBCHEM_MOLECULAR_FORMULA>
C6FeN6Na4

>  <PUBCHEM_MOLECULAR_WEIGHT>
303.91

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Na+].[Fe+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Na+].[Fe+2]

>  <PUBCHEM_CACTVS_TPSA>
143

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
303.912457

>  <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>
11

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  12  6
1  13  6
1  14  6
1  15  6
1  16  6
1  17  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
