24507
 OpenBabel05082101102D

  7  4  0  0  0  0  0  0  0  0999 V2000
    5.4641    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  2  0  0  0  0
M  CHG  4   1   1   2   1   4  -1   5  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24507

>  <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>
AAADcQAAOABAYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
dipotassium;sulfate

>  <PUBCHEM_IUPAC_CAS_NAME>
dipotassium;sulfate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
dipotassium;sulfate

>  <PUBCHEM_IUPAC_NAME>
dipotassium;sulfate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dipotassium;sulfate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dipotassium;sulfate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
OTYBMLCTZGSZBG-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
173.879143

>  <PUBCHEM_MOLECULAR_FORMULA>
K2O4S

>  <PUBCHEM_MOLECULAR_WEIGHT>
174.26

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

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

>  <PUBCHEM_CACTVS_TPSA>
88.6

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
173.879143

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
7

>  <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_COORDINATE_TYPE>
1
5
255

$$$$
