2730
  -OEChem-05052415352D

 29 29  0     0  0  0  0  0  0999 V2000
    5.4641    2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4641   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    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
    6.9407   -1.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -1.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718    1.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.8281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641   -0.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5841    0.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  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 12  1  0  0  0  0
  9 12  2  0  0  0  0
  9 18  1  0  0  0  0
 10 13  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 15  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  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 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2730

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
303

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAJGAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgIAACAACAKhkiIyhJIIERCgACBiRACCgCAhJWAAmmAkT5gIJuLBkpPEMAhkwBHIyAaQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
diethoxy-thioxo-[(3,5,6-trichloro-2-pyridyl)oxy]-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
diethoxy-sulfanylidene-[(3,5,6-trichloro-2-pyridinyl)oxy]phosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
diethoxy-sulfanylidene-[3,5,6-tris(chloranyl)pyridin-2-yl]oxy-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diethoxy-thioxo-[(3,5,6-trichloro-2-pyridyl)oxy]phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SBPBAQFWLVIOKP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.3

> <PUBCHEM_EXACT_MASS>
348.926284

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11Cl3NO3PS

> <PUBCHEM_MOLECULAR_WEIGHT>
350.6

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

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

> <PUBCHEM_CACTVS_TPSA>
72.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
348.926284

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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

> <PUBCHEM_BONDANNOTATIONS>
12  15  8
15  16  8
16  17  8
17  18  8
9  12  8
9  18  8

$$$$