2735045
  -OEChem-04262411522D

 12 10  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
    2.8660    0.7500    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    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
    6.3301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <PUBCHEM_COMPOUND_CID>
2735045

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
56.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBAIABgQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAAAAAAACggAICAAAABAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;ethoxymethanedithioate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;ethoxymethanedithioate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;ethoxymethanedithioate

> <PUBCHEM_IUPAC_NAME>
potassium;ethoxymethanedithioate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;ethoxymethanedithioate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;ethoxymethanedithioate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
JCBJVAJGLKENNC-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
159.94188861

> <PUBCHEM_MOLECULAR_FORMULA>
C3H5KOS2

> <PUBCHEM_MOLECULAR_WEIGHT>
160.30

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

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

> <PUBCHEM_CACTVS_TPSA>
42.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
159.94188861

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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  2  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$