62681
  -OEChem-04242423402D

 11  8  0     0  0  0  0  0  0999 V2000
    2.0000   -0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -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
    5.4641    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  0  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
    6.3301   -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
    5.9641    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  2  0  0  0  0
  4 11  2  0  0  0  0
M  CHG  4   1   1   2   1   6  -1   7  -1
M  END
> <PUBCHEM_COMPOUND_CID>
62681

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
194

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOABgYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
dipotassium;sulfonato sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
dipotassium;sulfonato sulfate

> <PUBCHEM_IUPAC_NAME_MARKUP>
dipotassium;sulfonato sulfate

> <PUBCHEM_IUPAC_NAME>
dipotassium;sulfonato sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
dipotassium;sulfonato sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dipotassium;sulfonato sulfate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2K.H2O7S2/c;;1-8(2,3)7-9(4,5)6/h;;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
KAQHZJVQFBJKCK-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
253.8359577

> <PUBCHEM_MOLECULAR_FORMULA>
K2O7S2

> <PUBCHEM_MOLECULAR_WEIGHT>
254.33

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

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

> <PUBCHEM_CACTVS_TPSA>
140

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
253.8359577

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$