57493411
  -OEChem-05042405302D

  8  6  0     0  0  0  0  0  0999 V2000
    1.0490    0.0000    0.0000 Zn  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    4.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7320    4.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  3  7  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  8  2  0  0  0  0
  7  8  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
57493411

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
77.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMYAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwAAAAAAAAAAgBAACAAAAAAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,2,2-trifluoroacetate;zinc

> <PUBCHEM_IUPAC_CAS_NAME>
2,2,2-trifluoroacetate;zinc

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,2,2-trifluoroacetate;zinc

> <PUBCHEM_IUPAC_NAME>
2,2,2-trifluoroacetate;zinc

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,2,2-tris(fluoranyl)ethanoate;zinc

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,2,2-trifluoroacetate;zinc

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2HF3O2.Zn/c3-2(4,5)1(6)7;/h(H,6,7);/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
NNKADNNVPMGMRX-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
176.914181

> <PUBCHEM_MOLECULAR_FORMULA>
C2F3O2Zn-

> <PUBCHEM_MOLECULAR_WEIGHT>
178.4

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

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

> <PUBCHEM_CACTVS_TPSA>
40.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
176.914181

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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_COORDINATE_TYPE>
1
5
255

$$$$