5392
  -OEChem-05032417472D

 47 48  0     0  0  0  0  0  0999 V2000
    6.9641   -0.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.3301    2.8840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -3.7500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    3.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -3.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5611    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -0.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3671    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5611    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8291   -0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3671    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2320   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3162    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6962    5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0762    5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    4.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0970   -5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.1940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 17  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  2  0  0  0  0
 14 22  1  0  0  0  0
 15 21  2  0  0  0  0
 15 23  1  0  0  0  0
 16 20  1  0  0  0  0
 16 28  1  0  0  0  0
 17 21  1  0  0  0  0
 17 29  1  0  0  0  0
 18 22  2  0  0  0  0
 18 30  1  0  0  0  0
 19 23  2  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 21 33  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 24 36  1  0  0  0  0
 24 37  1  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5392

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
474

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OANgAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgQAACAACASA0AIyB4AAARiAACBCAAACAAAgKBAIiBgGCIgIJiKgERKAMAAkwBEoiAeAQAAAAIAAAAAAAAABAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-thioxo-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
[4-[(4-dimethoxyphosphinothioyloxyphenyl)thio]phenoxy]-dimethoxy-sulfanylidenephosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[(4-dimethoxythiophosphoryloxyphenyl)thio]phenoxy]-dimethoxy-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
WWJZWCUNLNYYAU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
6

> <PUBCHEM_EXACT_MASS>
465.98972587

> <PUBCHEM_MOLECULAR_FORMULA>
C16H20O6P2S3

> <PUBCHEM_MOLECULAR_WEIGHT>
466.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC

> <PUBCHEM_CACTVS_TPSA>
145

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
465.98972587

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  16  8
12  18  8
13  17  8
13  19  8
14  20  8
14  22  8
15  21  8
15  23  8
16  20  8
17  21  8
18  22  8
19  23  8

$$$$