24083
 OpenBabel05082101102D

  6  4  0  0  0  0  0  0  0  0999 V2000
    3.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
M  CHG  3   2   2   3  -1   4  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24083

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
62.2

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOABAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;sulfate

>  <PUBCHEM_IUPAC_CAS_NAME>
magnesium;sulfate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;sulfate

>  <PUBCHEM_IUPAC_NAME>
magnesium;sulfate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;sulfate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;sulfate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
CSNNHWWHGAXBCP-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
119.936771

>  <PUBCHEM_MOLECULAR_FORMULA>
MgO4S

>  <PUBCHEM_MOLECULAR_WEIGHT>
120.37

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-]S(=O)(=O)[O-].[Mg+2]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-]S(=O)(=O)[O-].[Mg+2]

>  <PUBCHEM_CACTVS_TPSA>
88.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
119.936771

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
6

>  <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>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
