23664334
  -OEChem-11030914402D

 20 18  0     0  0  0  0  0  0999 V2000
    4.5981    1.2990    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.2990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.4330    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.4330    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4330    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
    7.1962    0.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.4699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.3770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
23664334

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
111

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAJAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAAAACggAICAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium diethoxy-oxido-thioxo-phosphorane

> <PUBCHEM_IUPAC_CAS_NAME>
potassium diethoxy-oxido-thioxophosphorane

> <PUBCHEM_IUPAC_NAME>
potassium diethoxy-oxido-sulfanylidene-$l^{5}-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium diethoxy-oxidanidyl-sulfanylidene-$l^{5}-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium diethoxy-oxido-thioxo-phosphorane

> <PUBCHEM_NIST_INCHI>
InChI=1S/C4H11O3PS.K/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);/q;+1/p-1

> <PUBCHEM_NIST_INCHIKEY>
OVJCAYMARFNMQB-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
207.972533

> <PUBCHEM_MOLECULAR_FORMULA>
C4H10KO3PS

> <PUBCHEM_MOLECULAR_WEIGHT>
208.257461

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

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

> <PUBCHEM_CACTVS_TPSA>
41.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
207.972533

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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_SUBSTANCE_ID>
24868163

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
445177_ALDRICH

> <PUBCHEM_SUBSTANCE_SYNONYM>
445177_ALDRICH
O,O-Diethyl thiophosphate potassium salt

> <PUBCHEM_XREF_EXT_ID>
445177_ALDRICH

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/ALDRICH/445177?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
23664334  1
655  2
5462222  2

> <PUBCHEM_NONSTANDARDBOND>
1  6  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  6  4

$$$$