24608
  -OEChem-05102423442D

  3  0  0     0  0  0  0  0  0999 V2000
    3.7320    0.2500    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1  -1   2  -1   3   2
M  END
> <PUBCHEM_COMPOUND_CID>
24608

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
2.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAGAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;dibromide

> <PUBCHEM_IUPAC_CAS_NAME>
calcium;dibromide

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium;dibromide

> <PUBCHEM_IUPAC_NAME>
calcium;dibromide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;dibromide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;dibromide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2BrH.Ca/h2*1H;/q;;+2/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
WGEFECGEFUFIQW-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
199.79722

> <PUBCHEM_MOLECULAR_FORMULA>
Br2Ca

> <PUBCHEM_MOLECULAR_WEIGHT>
199.89

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Ca+2].[Br-].[Br-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Ca+2].[Br-].[Br-]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
197.79927

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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_NONSTANDARDBOND>
1  3  6
2  3  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$