6441605
  -OEChem-05032419452D

 60 61  0     0  0  0  0  0  0999 V2000
    7.4823    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4823    4.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    5.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0804    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0804    5.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    3.7512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.2512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    4.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0290    6.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9350    5.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9350    6.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9464    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5804    4.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0804    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2144    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9464    8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5804    4.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    1.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    4.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    7.3712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218    7.4058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    6.5612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    4.9183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    6.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6173    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1585    6.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5570    7.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9978    4.4219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6881    4.0234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8114    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6173    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5664    8.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9464    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3264    8.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5804    4.0140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2004    4.6340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5804    5.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3484    5.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    1.9412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    2.2881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    1.2142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 30  1  0  0  0  0
  3 34  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 14  1  0  0  0  0
  5 33  1  0  0  0  0
  6 23  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
 10 33  2  0  0  0  0
 11 33  1  0  0  0  0
 11 35  1  0  0  0  0
 11 57  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 18  2  0  0  0  0
 15 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  2  0  0  0  0
 16 37  1  0  0  0  0
 17 21  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 23 34  2  0  0  0  0
 24 28  1  0  0  0  0
 25 29  2  0  0  0  0
 25 43  1  0  0  0  0
 26 31  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 32  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 34 56  1  0  0  0  0
 35 58  1  0  0  0  0
 35 59  1  0  0  0  0
 35 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6441605

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
597

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6OAIGAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBVAAAHgIQACAADAegmGYyDsLABRCIQiBCGIACCAAgJQAIiIAOCokMJiKFMxqIMiAkwhEIqAeAwLAOhAABAACZAAAIAAIAATIAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[(E)-2-chloro-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate;1-naphthyl N-methylcarbamate

> <PUBCHEM_IUPAC_CAS_NAME>
N-methylcarbamic acid 1-naphthalenyl ester;phosphoric acid [(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[(<I>E</I>)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;naphthalen-1-yl <I>N</I>-methylcarbamate

> <PUBCHEM_IUPAC_NAME>
[(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;naphthalen-1-yl N-methylcarbamate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[(E)-2-chloranyl-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate;naphthalen-1-yl N-methylcarbamate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-methylcarbamic acid 1-naphthyl ester;phosphoric acid [(E)-2-chloro-1-(2,4-dichlorophenyl)vinyl] diethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14Cl3O4P.C12H11NO2/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15;1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h5-8H,3-4H2,1-2H3;2-8H,1H3,(H,13,14)/b12-8+;

> <PUBCHEM_IUPAC_INCHIKEY>
CFTKUQMFQNYLEK-MXZHIVQLSA-N

> <PUBCHEM_EXACT_MASS>
559.048508

> <PUBCHEM_MOLECULAR_FORMULA>
C24H25Cl3NO6P

> <PUBCHEM_MOLECULAR_WEIGHT>
560.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl.CNC(=O)OC1=CC=CC2=CC=CC=C21

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl.CNC(=O)OC1=CC=CC2=CC=CC=C21

> <PUBCHEM_CACTVS_TPSA>
83.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
559.048508

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
12  14  8
12  15  8
13  16  8
13  17  8
14  18  8
15  20  8
16  19  8
17  21  8
18  19  8
20  21  8
22  24  8
22  25  8
24  28  8
25  29  8
28  30  8
29  30  8

$$$$