516920
  -OEChem-06191309122D

  7  5  0     0  0  0  0  0  0999 V2000
    5.1350    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  4  7  1  0  0  0  0
M  CHG  2   1   1   3  -1
M  END
> <PUBCHEM_COMPOUND_CID>
516920

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
93.2

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAOABAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAIAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;hydrogen sulfate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;hydrogen sulfate

> <PUBCHEM_IUPAC_NAME>
potassium;hydrogen sulfate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;hydrogen sulfate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;bisulfate

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

> <PUBCHEM_IUPAC_INCHIKEY>
CHKVPAROMQMJNQ-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
135.923261

> <PUBCHEM_MOLECULAR_FORMULA>
HKO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
136.16884

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

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

> <PUBCHEM_CACTVS_TPSA>
85.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
135.923261

> <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_NONSTANDARDBOND>
1  3  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$