9477
  -OEChem-05082409152D

 29 29  0     1  0  0  0  0  0999 V2000
    2.0000   -0.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.3840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    2.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6807    2.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9904    2.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    2.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781    2.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0981    1.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6401    2.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201    3.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  2  0  0  0  0
 11 14  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  2  0  0  0  0
 13 15  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9477

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
293

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAJGAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgoAACAACAaokCIyBoAAARCAACBCAAACAAAgJUAAikAGC4gIJiKBEhKAMAAkwBEIiAeAQAAAACAQAQCACAQAQCACAQAQCAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethoxy-ethyl-thioxo-(2,4,5-trichlorophenoxy)-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethoxy-ethyl-sulfanylidene-[2,4,5-tris(chloranyl)phenoxy]-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ethoxy-ethyl-thioxo-(2,4,5-trichlorophenoxy)phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
ANIAQSUBRGXWLS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.2

> <PUBCHEM_EXACT_MASS>
331.936121

> <PUBCHEM_MOLECULAR_FORMULA>
C10H12Cl3O2PS

> <PUBCHEM_MOLECULAR_WEIGHT>
333.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
50.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
331.936121

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  12  8
10  13  8
12  16  8
13  15  8
15  17  8
16  17  8
5  8  3

$$$$