74083581
  -OEChem-05072414042D

 31 31  0     1  0  0  0  0  0999 V2000
    6.0178   -2.8162    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    6.0690    1.4471    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040   -0.5746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4375    1.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088   -1.8651    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.3561   -1.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179    0.1381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1179    1.1381    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1096    1.1422    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0690   -0.1709    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6567    0.6381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1096    0.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4040    1.8508    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4658    1.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4658    0.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3780   -1.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6648    2.8162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0222    1.7506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366    0.9056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6305   -0.6093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9665    2.2901    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8302    0.7243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673    1.5903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    1.7275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013   -0.4513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9673   -0.3141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8302    0.5519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2633    2.6545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8265    3.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662    2.9779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.0333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  1  0  0  0  0
  4 31  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  CHG  2   1   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
74083581

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
362

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOABAQAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgQACAAADTzlwAaCCAMAAggIAAGQGAAAAABAABAAAAGIAAACEBwggCAEQAAGJgCwAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
potassium;6-(1-hydroxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;6-(1-hydroxyethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;6-(1-hydroxyethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15NO4S.K/c1-4(12)5-7(13)11-6(9(14)15)10(2,3)16-8(5)11;/h4-6,8,12H,1-3H3,(H,14,15);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
WFRGOJUCNMOEPE-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
283.02806059

> <PUBCHEM_MOLECULAR_FORMULA>
C10H14KNO4S

> <PUBCHEM_MOLECULAR_WEIGHT>
283.39

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])O.[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C1C2N(C1=O)C(C(S2)(C)C)C(=O)[O-])O.[K+]

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
283.02806059

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <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  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  16  3
8  2  3
13  4  3
9  12  3

$$$$