21123765
  -OEChem-05052412212D

 16  6  0     0  0  0  0  0  0999 V2000
    3.8508    0.0000    0.0000 Cr  0  1  0  0  0  0  0  0  0  0  0  0
    5.5829    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6736    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.9848    1.5000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    4.7169    1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508    2.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5829   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9848   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7169    0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.8508   -1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.8508    1.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    4.7169   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9848   -0.5000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    2.9848    0.5000    0.0000 C   0  5  0  0  0  0  0  0  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
  8 14  3  0  0  0  0
  9 15  3  0  0  0  0
 10 16  3  0  0  0  0
M  CHG  8   1   3   2   1   3   1   4   1  11  -1  12  -1  13  -1  14  -1
M  CHG  2  15  -1  16  -1
M  END
> <PUBCHEM_COMPOUND_CID>
21123765

> <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>
AAADcQBjgAAAYACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
chromic;tripotassium;hexacyanide

> <PUBCHEM_IUPAC_CAS_NAME>
tripotassium;chromium(3+);hexacyanide

> <PUBCHEM_IUPAC_NAME_MARKUP>
tripotassium;chromium(3+);hexacyanide

> <PUBCHEM_IUPAC_NAME>
tripotassium;chromium(3+);hexacyanide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tripotassium;chromium(3+);hexacyanide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
chromic;tripotassium;hexacyanide

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

> <PUBCHEM_IUPAC_INCHIKEY>
XYBUIQUQPGBKAR-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
324.850068

> <PUBCHEM_MOLECULAR_FORMULA>
C6CrK3N6

> <PUBCHEM_MOLECULAR_WEIGHT>
325.40

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

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

> <PUBCHEM_CACTVS_TPSA>
143

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
324.850068

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
10

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  11  6
1  12  6
1  13  6
1  14  6
1  15  6
1  16  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$