24587
 OpenBabel05082101102D

 11  8  0  0  0  0  0  0  0  0999 V2000
    4.3801   -0.1294    0.0000 Ba  0  2  0  0  0  0  0  0  0  0  0  0
    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
    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
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  3 11  2  0  0  0  0
M  CHG  3   1   2   4  -1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24587

>  <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>
AAADcQAAPAAAAABAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
barium(2+);dipermanganate

>  <PUBCHEM_IUPAC_CAS_NAME>
barium(2+);dipermanganate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
barium(2+);dipermanganate

>  <PUBCHEM_IUPAC_NAME>
barium(2+);dipermanganate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
barium(2+);dipermanganate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
barium(2+);dipermanganate

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

>  <PUBCHEM_IUPAC_INCHIKEY>
YFFSWKZRTPVKSO-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
375.740651

>  <PUBCHEM_MOLECULAR_FORMULA>
BaMn2O8

>  <PUBCHEM_MOLECULAR_WEIGHT>
375.2

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

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

>  <PUBCHEM_CACTVS_TPSA>
149

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
375.740651

>  <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

$$$$
