57483584
  -OEChem-04252413392D

 44 44  0     0  0  0  0  0  0999 V2000
    7.4321    1.1267    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8479   -0.8296    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6182    0.3565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6618   -0.0594    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4102    1.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4539    0.9188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.3649    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    4.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6400    0.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    0.9087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    0.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -0.5913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -1.2816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    0.2435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.9337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.7565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -2.0663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.0913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.7816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781   -4.2565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -3.5663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    2.2223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5997    3.8665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.6370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -4.7109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0535    3.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    4.6755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    4.5384    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 22  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 16  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 18  1  0  0  0  0
  9 16  2  0  0  0  0
  9 19  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
M  CHG  1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
57483584

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
423

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHwQAAAAACADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1-methyl-3-octylimidazol-1-ium-2-yl) trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
(1-methyl-3-octylimidazol-1-ium-2-yl) trifluoromethanesulfonate

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H22F3N2O3S/c1-3-4-5-6-7-8-9-18-11-10-17(2)12(18)21-22(19,20)13(14,15)16/h10-11H,3-9H2,1-2H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
IIUJURRRZXOPJZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
343.13032323

> <PUBCHEM_MOLECULAR_FORMULA>
C13H22F3N2O3S+

> <PUBCHEM_MOLECULAR_WEIGHT>
343.39

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCN1C=C[N+](=C1OS(=O)(=O)C(F)(F)F)C

> <PUBCHEM_CACTVS_TPSA>
60.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.13032323

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
18  19  8
8  16  8
8  18  8
9  16  8
9  19  8

$$$$