516875
 OpenBabel05082101102D

  6  4  0  0  0  0  0  0  0  0999 V2000
    2.7071    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    4.3801    0.4483    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.4142    0.7071    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142   -0.7071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
M  CHG  2   2   1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
516875

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
118

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOAAAQABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;permanganate

>  <PUBCHEM_IUPAC_CAS_NAME>
potassium;permanganate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;permanganate

>  <PUBCHEM_IUPAC_NAME>
potassium;permanganate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;permanganate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;permanganate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/K.Mn.4O/q+1;;;;;-1

>  <PUBCHEM_IUPAC_INCHIKEY>
VZJVWSHVAAUDKD-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
157.881408

>  <PUBCHEM_MOLECULAR_FORMULA>
KMnO4

>  <PUBCHEM_MOLECULAR_WEIGHT>
158.034

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-][Mn](=O)(=O)=O.[K+]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-][Mn](=O)(=O)=O.[K+]

>  <PUBCHEM_CACTVS_TPSA>
74.3

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
157.881408

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
2  3  7

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
