2724251
  -OEChem-04252409462D

 43 18  0     0  0  0  0  0  0999 V2000
    5.4641   -0.1160    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    8.0622    1.3840    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.1160    0.0000 Fe  0  2  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.6160    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    3.6133   -0.7897    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    5.3301    2.3839    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    7.2698    0.0420    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
    4.5981    1.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0226    1.8688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.3840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0622    3.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    1.2156    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -0.4820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5894    1.7122    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.8840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9282   -1.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6160    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6160    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1160    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1160    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.8840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    7.5622    2.2500    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.0019    1.0420    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1160    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.6160    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301    2.3840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    9.7942    0.3840    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    8.4282   -0.9821    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  8 26  3  0  0  0  0
  9 27  3  0  0  0  0
 10 28  3  0  0  0  0
 11 29  3  0  0  0  0
 12 30  3  0  0  0  0
 13 31  3  0  0  0  0
 14 32  3  0  0  0  0
 15 33  3  0  0  0  0
 16 34  3  0  0  0  0
 17 35  3  0  0  0  0
 18 36  3  0  0  0  0
 19 37  3  0  0  0  0
 20 38  3  0  0  0  0
 21 39  3  0  0  0  0
 22 40  3  0  0  0  0
 23 41  3  0  0  0  0
 24 42  3  0  0  0  0
 25 43  3  0  0  0  0
M  CHG  8   1   2   2   2   3   2   4   3   5   3   6   3   7   3  26  -1
M  CHG  8  27  -1  28  -1  29  -1  30  -1  31  -1  32  -1  33  -1  34  -1
M  CHG  8  35  -1  36  -1  37  -1  38  -1  39  -1  40  -1  41  -1  42  -1
M  CHG  1  43  -1
M  END
> <PUBCHEM_COMPOUND_CID>
2724251

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
127

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
36

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQB7wAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
tetraferric;triferrous;octadecacyanide

> <PUBCHEM_IUPAC_CAS_NAME>
iron(2+);iron(3+);octadecacyanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
iron(2+);iron(3+);octadecacyanide

> <PUBCHEM_IUPAC_NAME>
iron(2+);iron(3+);octadecacyanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
iron(2+);iron(3+);octadecacyanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetraferric;triferrous;octadecacyanide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/18CN.7Fe/c18*1-2;;;;;;;/q18*-1;3*+2;4*+3

> <PUBCHEM_IUPAC_INCHIKEY>
DCYOBGZUOMKFPA-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
859.59988

> <PUBCHEM_MOLECULAR_FORMULA>
C18Fe7N18

> <PUBCHEM_MOLECULAR_WEIGHT>
859.2

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].[Fe+2].[Fe+2].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

> <PUBCHEM_CACTVS_TPSA>
428

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
859.59988

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
43

> <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>
25

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  26  6
1  27  6
1  28  6
1  29  6
1  30  6
1  31  6
2  32  6
2  33  6
2  34  6
2  35  6
2  36  6
2  37  6
3  38  6
3  39  6
3  40  6
3  41  6
3  42  6
3  43  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$