3286
 OpenBabel05082101102D

 41 40  0  0  0  0  0  0  0  0999 V2000
    5.4641   -0.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.7320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -1.7320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0991    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8722    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 16  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 19  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
3286

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
279

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOANwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgQAACAAAACggAKCAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-thioxo-lambda5-phosphane

>  <PUBCHEM_IUPAC_CAS_NAME>
[(diethoxyphosphinothioylthio)methylthio]-diethoxy-sulfanylidenephosphorane

>  <PUBCHEM_IUPAC_NAME_MARKUP>
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane

>  <PUBCHEM_IUPAC_NAME>
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[(diethoxythiophosphorylthio)methylthio]-diethoxy-thioxo-phosphorane

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

>  <PUBCHEM_IUPAC_INCHIKEY>
RIZMRRKBZQXFOY-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3>
5.1

>  <PUBCHEM_EXACT_MASS>
383.987618

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H22O4P2S4

>  <PUBCHEM_MOLECULAR_WEIGHT>
384.5

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

>  <PUBCHEM_CACTVS_TPSA>
152

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
383.987618

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
19

>  <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>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
