3014583
  -OEChem-04272400412D

  5  3  0     0  0  0  0  0  0999 V2000
    3.0000    0.1464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8536    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1464    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.8536    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7071    0.8536    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
M  CHG  3   2   2   3  -1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
3014583

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
18.8

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMABAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
magnesium;sulfite

> <PUBCHEM_IUPAC_CAS_NAME>
magnesium;sulfite

> <PUBCHEM_IUPAC_NAME_MARKUP>
magnesium;sulfite

> <PUBCHEM_IUPAC_NAME>
magnesium;sulfite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
magnesium;sulfite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
magnesium;sulfite

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Mg.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
JESHZQPNPCJVNG-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
103.9418567

> <PUBCHEM_MOLECULAR_FORMULA>
MgO3S

> <PUBCHEM_MOLECULAR_WEIGHT>
104.37

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

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

> <PUBCHEM_CACTVS_TPSA>
82.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
103.9418567

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$