59562123
  -OEChem-04252403182D

  8  6  0     0  0  0  0  0  0999 V2000
    2.0000   -0.8170    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    2.3660    0.5490    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.3170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3170    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.0070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
M  CHG  2   1   1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
59562123

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
64.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMaAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwAACAAAAAAAgBAACAAAAgAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sodium;2,2-difluoroacetic acid

> <PUBCHEM_IUPAC_CAS_NAME>
sodium;2,2-difluoroacetic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
sodium;2,2-difluoroacetic acid

> <PUBCHEM_IUPAC_NAME>
sodium;2,2-difluoroacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sodium;2,2-bis(fluoranyl)ethanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sodium;2,2-difluoroacetic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2HF2O2.Na/c3-1(4)2(5)6;/h(H,5,6);/q-1;+1

> <PUBCHEM_IUPAC_INCHIKEY>
AIIZNGZSIHZXTG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
117.98422988

> <PUBCHEM_MOLECULAR_FORMULA>
C2HF2NaO2

> <PUBCHEM_MOLECULAR_WEIGHT>
118.01

> <PUBCHEM_OPENEYE_CAN_SMILES>
[C-](C(=O)O)(F)F.[Na+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[C-](C(=O)O)(F)F.[Na+]

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
117.98422988

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  6  7

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$