24412
 OpenBabel05082101102D

 12  9  0  0  0  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1962    0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301   -0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  3 10  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  2  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
M  CHG  4   1   1   2   1   7  -1   8  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24412

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
206

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAPABgYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
dipotassium;sulfonatooxy sulfate

>  <PUBCHEM_IUPAC_CAS_NAME>
dipotassium;sulfonatooxy sulfate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
dipotassium;sulfonatooxy sulfate

>  <PUBCHEM_IUPAC_NAME>
dipotassium;sulfonatooxy sulfate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dipotassium;sulfonatooxy sulfate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dipotassium;sulfato sulfate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/2K.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2

>  <PUBCHEM_IUPAC_INCHIKEY>
USHAGKDGDHPEEY-UHFFFAOYSA-L

>  <PUBCHEM_EXACT_MASS>
269.830872

>  <PUBCHEM_MOLECULAR_FORMULA>
K2O8S2

>  <PUBCHEM_MOLECULAR_WEIGHT>
270.33

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

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

>  <PUBCHEM_CACTVS_TPSA>
150

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
269.830872

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <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

$$$$
