439210
  -OEChem-05092405052D

 13  6  0     0  0  0  0  0  0999 V2000
    3.7320    0.0000    0.0000 Fe  0  1  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
    2.0000   -1.0000    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
    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
  2  8  3  0  0  0  0
  3  9  3  0  0  0  0
  4 10  3  0  0  0  0
  5 11  3  0  0  0  0
  6 12  3  0  0  0  0
  7 13  3  0  0  0  0
M  CHG  7   1   3   8  -1   9  -1  10  -1  11  -1  12  -1  13  -1
M  END
> <PUBCHEM_COMPOUND_CID>
439210

> <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>
AAADcQBjgAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ferric;hexacyanide

> <PUBCHEM_IUPAC_CAS_NAME>
iron(3+);hexacyanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
iron(3+);hexacyanide

> <PUBCHEM_IUPAC_NAME>
iron(3+);hexacyanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
iron(3+);hexacyanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ferric;hexacyanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/6CN.Fe/c6*1-2;/q6*-1;+3

> <PUBCHEM_IUPAC_INCHIKEY>
YAGKRVSRTSUGEY-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
211.953380

> <PUBCHEM_MOLECULAR_FORMULA>
C6FeN6-3

> <PUBCHEM_MOLECULAR_WEIGHT>
211.95

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+3]

> <PUBCHEM_CACTVS_TPSA>
143

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
211.953380

> <PUBCHEM_TOTAL_CHARGE>
-3

> <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>
7

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  10  6
1  11  6
1  12  6
1  13  6
1  8  6
1  9  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$