23683747
  -OEChem-05012417402D

 15 14  0     0  0  0  0  0  0999 V2000
    2.0000    1.9330    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0670    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.9330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2320   -1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741    0.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4 10  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
M  CHG  2   1   1   4  -1
M  END
> <PUBCHEM_COMPOUND_CID>
23683747

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
299

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiOABAQAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAAQAAACASBgAACAAAAAACgACBiADAAAAAAIAAACAAQABAABAAAAQAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;6-methyl-2,2-dioxo-oxathiazin-4-olate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;6-methyl-2,2-dioxo-4-oxathiazinolate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;6-methyl-2,2-dioxooxathiazin-4-olate

> <PUBCHEM_IUPAC_NAME>
potassium;6-methyl-2,2-dioxooxathiazin-4-olate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;6-methyl-2,2-bis(oxidanylidene)-1,2,3-oxathiazin-4-olate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;2,2-diketo-6-methyl-oxathiazin-4-olate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
WBZFUFAFFUEMEI-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
200.94981027

> <PUBCHEM_MOLECULAR_FORMULA>
C4H4KNO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
201.24

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC(=NS(=O)(=O)O1)[O-].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC(=NS(=O)(=O)O1)[O-].[K+]

> <PUBCHEM_CACTVS_TPSA>
87.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
200.94981027

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_NONSTANDARDBOND>
1  4  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$