3032624
  -OEChem-04252405442D

 12  9  0     0  0  0  0  0  0999 V2000
    7.1962    0.3170    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3170    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3170    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.1830    0.0000 O   0  4  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8170    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1830    0.0000 N   0  0  0  0  0  0  0  0  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
  3 12  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
  4 12  1  0  0  0  0
  5 12  1  0  0  0  0
M  CHG  4   1   1   2   1   6  -1   7  -1
M  RAD  1   5   2
M  END
> <PUBCHEM_COMPOUND_CID>
3032624

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
223

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQACOABgYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEQAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2K.H2NO7S2/c;;2-1(9(3,4)5)10(6,7)8/h;;(H,3,4,5)(H,6,7,8)/q2*+1;/p-2

> <PUBCHEM_IUPAC_INCHIKEY>
IHSLHAZEJBXKMN-UHFFFAOYSA-L

> <PUBCHEM_EXACT_MASS>
267.8390317

> <PUBCHEM_MOLECULAR_FORMULA>
K2NO7S2

> <PUBCHEM_MOLECULAR_WEIGHT>
268.33

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

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

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
267.8390317

> <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

$$$$