16212472
  -OEChem-04192403042D

 12  9  0     0  0  0  0  0  0999 V2000
    0.0000    2.1830    0.0000 Eu  0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.3660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    2.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0675    4.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5306    4.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16212472

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
83.4

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQBAMYAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAACwAACAAAAAAAgBAACAAAAgAIAACQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
europium;2,2,2-trifluoroacetic acid;hydrate

> <PUBCHEM_IUPAC_CAS_NAME>
europium;2,2,2-trifluoroacetic acid;hydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
europium;2,2,2-trifluoroacetic acid;hydrate

> <PUBCHEM_IUPAC_NAME>
europium;2,2,2-trifluoroacetic acid;hydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
europium;2,2,2-tris(fluoranyl)ethanoic acid;hydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
europium;2,2,2-trifluoroacetic acid;hydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2HF3O2.Eu.H2O/c3-2(4,5)1(6)7;;/h(H,6,7);;1H2

> <PUBCHEM_IUPAC_INCHIKEY>
QTNRUFIHELKJND-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
284.92467

> <PUBCHEM_MOLECULAR_FORMULA>
C2H3EuF3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
284.00

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

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

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.92467

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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_COORDINATE_TYPE>
1
5
255

$$$$