57483582
  -OEChem-05072402362D

 26 26  0     0  0  0  0  0  0999 V2000
    4.8340   -0.5455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2498   -2.5018    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0201   -1.3157    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0638   -1.7315    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    0.4327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8122   -0.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8559   -0.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1539    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.6928    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6750    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    0.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    1.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9538    2.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0419   -1.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -1.4287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4674    0.5501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0016    2.1943    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4554    2.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3182    3.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    2.8662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.8830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 16  1  0  0  0  0
  2 16  1  0  0  0  0
  3 16  1  0  0  0  0
  4 16  1  0  0  0  0
  5 10  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  CHG  1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
57483582

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwQAAAAAAADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1-ethyl-3-methyl-imidazol-3-ium-2-yl) trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
trifluoromethanesulfonic acid (1-ethyl-3-methyl-2-imidazol-3-iumyl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1-ethyl-3-methylimidazol-3-ium-2-yl) trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
(1-ethyl-3-methylimidazol-3-ium-2-yl) trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1-ethyl-3-methyl-imidazol-3-ium-2-yl) tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
trifluoromethanesulfonic acid (1-ethyl-3-methyl-imidazol-3-ium-2-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H10F3N2O3S/c1-3-12-5-4-11(2)6(12)15-16(13,14)7(8,9)10/h4-5H,3H2,1-2H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
ZTKKHILOCTWEFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
259.03642285

> <PUBCHEM_MOLECULAR_FORMULA>
C7H10F3N2O3S+

> <PUBCHEM_MOLECULAR_WEIGHT>
259.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C

> <PUBCHEM_CACTVS_TPSA>
60.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.03642285

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  13  8
8  10  8
8  12  8
9  10  8
9  13  8

$$$$