57475901
  -OEChem-04192409192D

 35 35  0     0  0  0  0  0  0999 V2000
    5.7000   -0.8301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.1159   -2.7864    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8861   -1.6003    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9298   -2.0161    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4921    0.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6782   -0.6222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7219   -1.0380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1307    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.2320    1.4081    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8198    2.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131    3.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9079   -1.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -1.7133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.0481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -1.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334    0.2655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.5230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8676    1.9097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2505    1.7712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3338    2.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.5938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.4407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.6676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9795    3.3829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1609    3.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8467    2.8785    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 19  1  0  0  0  0
  2 19  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 14  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 17  1  0  0  0  0
 14 25  1  0  0  0  0
 14 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  CHG  1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
57475901

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
381

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwQAAAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAAiAAUAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1-butyl-3-ethylimidazol-1-ium-2-yl) trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
(1-butyl-3-ethylimidazol-1-ium-2-yl) trifluoromethanesulfonate

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H16F3N2O3S/c1-3-5-6-15-8-7-14(4-2)9(15)18-19(16,17)10(11,12)13/h7-8H,3-6H2,1-2H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
JAQMYLYYBUGFMX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
301.08337304

> <PUBCHEM_MOLECULAR_FORMULA>
C10H16F3N2O3S+

> <PUBCHEM_MOLECULAR_WEIGHT>
301.31

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC[N+]1=C(N(C=C1)CC)OS(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC[N+]1=C(N(C=C1)CC)OS(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
60.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
301.08337304

> <PUBCHEM_TOTAL_CHARGE>
1

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
8  12  8
8  13  8
9  12  8
9  15  8

$$$$