24854
 OpenBabel05082101102D

  3  0  0  0  0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  3   1   2   2  -1   3  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24854

>  <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>
AAADcQAAAAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
calcium;dichloride

>  <PUBCHEM_IUPAC_CAS_NAME>
calcium;dichloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
calcium;dichloride

>  <PUBCHEM_IUPAC_NAME>
calcium;dichloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
calcium;dichloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
calcium;dichloride

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

>  <PUBCHEM_IUPAC_INCHIKEY>
UXVMQQNJUSDDNG-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
109.900296

>  <PUBCHEM_MOLECULAR_FORMULA>
CaCl2

>  <PUBCHEM_MOLECULAR_WEIGHT>
110.98

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

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

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
109.900296

>  <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  2  6
1  3  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
