91655
  -OEChem-04252402272D

 26 25  0     1  0  0  0  0  0999 V2000
    6.3301   -1.7990    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -1.1651    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    0.5670    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.6651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7990    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.5345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    1.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.1090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    2.3360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 15  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
91655

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
225

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAJHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgIAACAAAAOggMICAAAAARAAAAAAAAAAAAAAAAAAAEAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diethoxy-(1,2,2,2-tetrachloroethoxy)-thioxo-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
diethoxy-sulfanylidene-(1,2,2,2-tetrachloroethoxy)phosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
diethoxy-sulfanylidene-(1,2,2,2-tetrachloroethoxy)-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
diethoxy-sulfanylidene-(1,2,2,2-tetrachloroethoxy)-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diethoxy-sulfanylidene-[1,2,2,2-tetrakis(chloranyl)ethoxy]-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diethoxy-(1,2,2,2-tetrachloroethoxy)-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H11Cl4O3PS/c1-3-11-14(15,12-4-2)13-5(7)6(8,9)10/h5H,3-4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
XFDJMIHUAHSGKG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
335.889113

> <PUBCHEM_MOLECULAR_FORMULA>
C6H11Cl4O3PS

> <PUBCHEM_MOLECULAR_WEIGHT>
336.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=S)(OCC)OC(C(Cl)(Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
59.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
333.892063

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  1  3

$$$$