169256
  -OEChem-05191303212D

 25 23  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
    3.7321   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -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
    4.2321   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1995    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   -0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  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
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  7 11  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 21  1  0  0  0  0
 13 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
169256

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
271

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgOABAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAADACkwAKCCAAABAKIAgDSCHBAAAAAAAAAAAEAAEAABAAAIQACAAAAAAAAIIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;3-(2-methyl-1-oxoprop-2-enoxy)-1-propanesulfonate

> <PUBCHEM_IUPAC_NAME>
potassium;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;3-(2-methylprop-2-enoyloxy)propane-1-sulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;3-methacryloyloxypropane-1-sulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H12O5S.K/c1-6(2)7(8)12-4-3-5-13(9,10)11;/h1,3-5H2,2H3,(H,9,10,11);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
PNOXUQIZPBURMT-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
245.996426

> <PUBCHEM_MOLECULAR_FORMULA>
C7H11KO5S

> <PUBCHEM_MOLECULAR_WEIGHT>
246.32254

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=C)C(=O)OCCCS(=O)(=O)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=C)C(=O)OCCCS(=O)(=O)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
91.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
245.996426

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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_COORDINATE_TYPE>
1
5
255

$$$$