6531
  -OEChem-04242410442D

 50 50  0     1  0  0  0  0  0999 V2000
    7.1962    0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -0.1160    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -2.1160    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981   -0.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0622   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5622    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176    2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9796    1.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6698    1.0054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.0835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.8806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042    2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842    3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    2.7920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7522    3.0190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5252    2.1720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    1.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    1.8850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.0381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 15  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 21  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 23  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 24  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6531

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
395

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOANwAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgQAACAAAACkwAKCAAAABRAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAACAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-thioxo-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
[[3-(diethoxyphosphinothioylthio)-1,4-dioxan-2-yl]thio]-diethoxy-sulfanylidenephosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[3-(diethoxythiophosphorylthio)-1,4-dioxan-2-yl]thio]-diethoxy-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
VBKKVDGJXVOLNE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
456.00874723

> <PUBCHEM_MOLECULAR_FORMULA>
C12H26O6P2S4

> <PUBCHEM_MOLECULAR_WEIGHT>
456.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC

> <PUBCHEM_CACTVS_TPSA>
170

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.00874723

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
13  1  3
14  2  3

$$$$