24959
  -OEChem-04252404492D

 11  8  0     0  0  0  0  0  0999 V2000
    2.7071   -0.5777    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    6.0532    0.3189    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    4.3801   -0.1294    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.4142    0.1294    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.0872    0.5777    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4142   -1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191    0.0601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3120    1.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7944   -0.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 11  2  0  0  0  0
M  CHG  3   3   2   4  -1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24959

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
95.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAPAAAAAhAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;dipermanganate

> <PUBCHEM_IUPAC_CAS_NAME>
calcium;dipermanganate

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium;dipermanganate

> <PUBCHEM_IUPAC_NAME>
calcium;dipermanganate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;dipermanganate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;dipermanganate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Ca.2Mn.8O/q+2;;;;;;;;;2*-1

> <PUBCHEM_IUPAC_INCHIKEY>
HYSMCTNXSYZEHS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
277.797994

> <PUBCHEM_MOLECULAR_FORMULA>
CaMn2O8

> <PUBCHEM_MOLECULAR_WEIGHT>
277.95

> <PUBCHEM_OPENEYE_CAN_SMILES>
[O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Ca+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[O-][Mn](=O)(=O)=O.[O-][Mn](=O)(=O)=O.[Ca+2]

> <PUBCHEM_CACTVS_TPSA>
149

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
277.797994

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$