57483583
  -OEChem-04252412392D

 38 38  0     0  0  0  0  0  0999 V2000
    6.5661    0.3767    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.9819   -1.5796    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7521   -0.3935    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958   -0.8094    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3582    1.3548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5442    0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5879    0.1688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.6149    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.6639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    3.4239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7740   -0.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -0.5316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.1837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.0065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.3413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -3.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -2.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1994    1.4723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    3.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -3.7339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -3.9609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1874    3.0595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    3.9255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    3.7884    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 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 20  1  0  0  0  0
  5 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  2  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 15  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 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
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
M  CHG  1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
57483583

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
395

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwQAAAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H18F3N2O3S/c1-3-4-5-6-7-16-9-8-15(2)10(16)19-20(17,18)11(12,13)14/h8-9H,3-7H2,1-2H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
RSOJHFHDYVUYOQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
315.09902310

> <PUBCHEM_MOLECULAR_FORMULA>
C11H18F3N2O3S+

> <PUBCHEM_MOLECULAR_WEIGHT>
315.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C

> <PUBCHEM_CACTVS_TPSA>
60.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
315.09902310

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
16  17  8
8  14  8
8  16  8
9  14  8
9  17  8

$$$$