24848164
  -OEChem-04192422442D

 26 25  0     0  0  0  0  0  0999 V2000
    7.0010    3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    6.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0600    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    1.0000    3.0600    0.0000 F   0  5  0  0  0  0  0  0  0  0  0  0
    5.2690    4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5369    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6720    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040    4.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010    6.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    2.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  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 14  1  0  0  0  0
 11 15  2  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 18  2  0  0  0  0
 14 22  1  0  0  0  0
 15 18  1  0  0  0  0
 15 23  1  0  0  0  0
 16 19  2  0  0  0  0
 16 24  1  0  0  0  0
 17 19  1  0  0  0  0
 17 25  1  0  0  0  0
M  CHG  2   4   1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
24848164

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
254

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBwMSAGAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAGgIACAAACAaAkCAwBoAABgCAACBCAAACCAAgJUAIiAAGi4gNJiOHMxqCeCOkwBELuAeAQAAAACAAAQCASAAAQAACAQCQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;5-chloro-2-(2,4-dichlorophenoxy)phenol;fluoride

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;5-chloro-2-(2,4-dichlorophenoxy)phenol;fluoride

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;5-chloro-2-(2,4-dichlorophenoxy)phenol;fluoride

> <PUBCHEM_IUPAC_NAME>
sodium;5-chloro-2-(2,4-dichlorophenoxy)phenol;fluoride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2-[2,4-bis(chloranyl)phenoxy]-5-chloranyl-phenol;fluoride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;5-chloro-2-(2,4-dichlorophenoxy)phenol;fluoride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H7Cl3O2.FH.Na/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;;/h1-6,16H;1H;/q;;+1/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
XFIPBHVSZAZCKV-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
329.939335

> <PUBCHEM_MOLECULAR_FORMULA>
C12H7Cl3FNaO2

> <PUBCHEM_MOLECULAR_WEIGHT>
331.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl.[F-].[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl.[F-].[Na+]

> <PUBCHEM_CACTVS_TPSA>
29.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
329.939335

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
4  5  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  14  8
11  15  8
12  16  8
13  17  8
14  18  8
15  18  8
16  19  8
17  19  8
8  10  8
8  11  8
9  12  8
9  13  8

$$$$