60149544
  -OEChem-05221301302D

 54 53  0     0  0  0  0  0  0999 V2000
   11.9205    5.6932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.6885    5.5592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6885    3.8272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5545    6.0592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.5545    4.3272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.8225    5.0592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8225    3.3272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5904    3.1932    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    4.5592    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9564    2.8272    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7866    6.1932    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   12.4205    4.8272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4205    6.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010    8.0758    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    7.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920    7.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885    4.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010    8.0758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0545    5.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3225    4.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0888    8.8848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4564    3.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3471    3.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7456    4.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0569    4.1195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6584    3.4293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    5.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    4.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810    1.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2131    4.9543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116    5.6446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1909    2.6195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7924    1.9293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6150    0.4543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0135    1.1446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3997    6.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6024    6.9331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366    8.5774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904    8.5204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4532    9.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5872    9.2492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  2  0  0  0  0
  1 13  2  0  0  0  0
  1 28  1  0  0  0  0
  2 26  1  0  0  0  0
  3 26  1  0  0  0  0
  4 28  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 29  1  0  0  0  0
  8 31  1  0  0  0  0
  9 31  1  0  0  0  0
 10 31  1  0  0  0  0
 14 20  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 23  2  0  0  0  0
 15 27  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 21  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 27  2  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 51  1  0  0  0  0
 29 31  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  CHG  2  11  -1  15   1
M  END
> <PUBCHEM_COMPOUND_CID>
60149544

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
510

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
12

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7McBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAACADBQhQvkBcMEAKgABAnZHBAgC0REqAJQAAYMACASAIAiAAUAAAIAAKAACEQgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonate

> <PUBCHEM_IUPAC_NAME>
1-methyl-3-octylimidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-methyl-3-octyl-imidazol-1-ium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H23N2.C4HF9O3S/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h10-12H,3-9H2,1-2H3;(H,14,15,16)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
UOYPBMPPFOQUMO-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
494.128568

> <PUBCHEM_MOLECULAR_FORMULA>
C16H23F9N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
494.416049

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCCCCCCN1C=C[N+](=C1)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCCCCCCN1C=C[N+](=C1)C.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F

> <PUBCHEM_CACTVS_TPSA>
74.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
494.128568

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
14  23  8
14  24  8
15  23  8
15  27  8
24  27  8

$$$$