22003123
  -OEChem-04262403542D

  4  0  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.5000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    2.5000    2.5000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
M  CHG  4   1   2   2   2   3   2   4   2
M  END
> <PUBCHEM_COMPOUND_CID>
22003123

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium(2+)

> <PUBCHEM_IUPAC_CAS_NAME>
calcium(2+)

> <PUBCHEM_IUPAC_NAME_MARKUP>
calcium(2+)

> <PUBCHEM_IUPAC_NAME>
calcium(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium(2+)

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/4Ca/q4*+2

> <PUBCHEM_IUPAC_INCHIKEY>
FRTTXYZXNWXZRK-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
159.8503634

> <PUBCHEM_MOLECULAR_FORMULA>
Ca4+8

> <PUBCHEM_MOLECULAR_WEIGHT>
160.31

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
159.8503634

> <PUBCHEM_TOTAL_CHARGE>
8

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
4

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$