61629
  -OEChem-05122413052D

 11  8  0     0  0  0  0  0  0999 V2000
    4.5981    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301   -0.8660    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>
61629

> <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>
AAADcQAAPAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;diperchlorate

> <PUBCHEM_IUPAC_CAS_NAME>
calcium;diperchlorate

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium;diperchlorate

> <PUBCHEM_IUPAC_NAME>
calcium;diperchlorate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;diperchlorate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;diperchlorate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Ca.2ClHO4/c;2*2-1(3,4)5/h;2*(H,2,3,4,5)/q+2;;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
ZQAOXERLHGRFIC-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
237.8596132

> <PUBCHEM_MOLECULAR_FORMULA>
CaCl2O8

> <PUBCHEM_MOLECULAR_WEIGHT>
238.98

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

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

> <PUBCHEM_CACTVS_TPSA>
149

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
237.8596132

> <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

$$$$