8292
  -OEChem-04232415592D

 35 35  0     1  0  0  0  0  0999 V2000
    3.1340   -3.0000    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    4.5000    0.6340    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7320    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540    3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2554    2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    2.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    1.7554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0420    2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2690    3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4220    4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9580   -2.9631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7310   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780   -4.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  1  9  1  0  0  0  0
  1 18  1  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  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 19  1  0  0  0  0
 11 13  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14 16  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8292

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
306

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAJgAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgQAACAACASg0AKyB4AAARqAACBCAEBCAAAgKBAIiBgGCIgIJiKgERKAMAAkwBEIiAeAQAAAAIAAAAAAAAABAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diethoxy-(4-methylsulfinylphenoxy)-thioxo-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diethoxy-(4-methylsulfinylphenoxy)-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
XDNBJTQLKCIJBV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
308.03058836

> <PUBCHEM_MOLECULAR_FORMULA>
C11H17O4PS2

> <PUBCHEM_MOLECULAR_WEIGHT>
308.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C

> <PUBCHEM_CACTVS_TPSA>
96.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
308.03058836

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
1  18  3
10  12  8
11  13  8
8  10  8
8  11  8
9  12  8
9  13  8

$$$$