23023211
  -OEChem-04232423332D

 30 29  0     0  0  0  0  0  0999 V2000
    5.8708    2.6824    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.6028    3.6824    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2368    2.3163    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2368    4.0484    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0047    2.1824    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.3708    3.5484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3708    1.8163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.9030    3.5758    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2120    2.6247    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
    2.4907    4.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5939    2.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    3.5758    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
    2.0840    5.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368    3.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8016    2.4331    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
    2.9214    3.9388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0048    4.7315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    2.4331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385    4.0774    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
    2.6504    5.5505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8318    5.8647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5176    5.0462    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 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 18  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 16  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
M  CHG  2   5  -1   8   1
M  END
> <PUBCHEM_COMPOUND_CID>
23023211

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
218

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAAAAAAADBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1,3-diethylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
1,3-diethylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
1,3-diethylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
1,3-diethylimidazol-1-ium;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,3-diethylimidazol-1-ium;tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1,3-diethylimidazol-1-ium;triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C7H13N2.CHF3O3S/c1-3-8-5-6-9(4-2)7-8;2-1(3,4)8(5,6)7/h5-7H,3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FZMGVRNPQDFKSD-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
274.05989794

> <PUBCHEM_MOLECULAR_FORMULA>
C8H13F3N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
274.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1C=C[N+](=C1)CC.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1C=C[N+](=C1)CC.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
74.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
274.05989794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
13  14  8
8  10  8
8  13  8
9  10  8
9  14  8

$$$$