16108730
  -OEChem-05122403322D

 43 42  0     0  0  0  0  0  0999 V2000
    3.4641    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.8660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8660    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3660    0.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    2.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927    6.7543    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.6927    8.2932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    0.3660    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    2.1927    5.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2804    9.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0017    7.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3836    7.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6927    8.2932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5348    4.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927    5.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1095    9.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4714    9.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    5.7543    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.7820    8.7378    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.5913    7.1505    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.7940    7.1505    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.3282    8.7948    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.7468    4.2320    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.1173    5.0267    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.9521    4.6026    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.5727    5.7543    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.1927    6.3743    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    0.9807    5.1717    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.6235   10.0081    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    4.4562    9.1474    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    3.7628   10.1754    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    1.9698   10.0544    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.1070    9.1884    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
    2.6423   10.2859    0.0000 H   1  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  1 10  2  0  0  0  0
  1 15  1  0  0  0  0
  1 25  1  0  0  0  0
  2 11  2  0  0  0  0
  2 12  2  0  0  0  0
  2 15  1  0  0  0  0
  2 26  1  0  0  0  0
  3 25  1  0  0  0  0
  4 25  1  0  0  0  0
  5 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 26  1  0  0  0  0
  8 26  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 17  1  0  0  0  0
 14 18  1  0  0  0  0
 14 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 27  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  1  0  0  0  0
 17 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  CHG  2  13   1  15  -1
M  ISO  8  27   2  28   2  29   2  30   2  31   2  32   2  33   2  34   2
M  ISO  8  35   2  36   2  37   2  38   2  39   2  40   2  41   2  42   2
M  ISO  1  43   2
M  END
> <PUBCHEM_COMPOUND_CID>
16108730

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
480

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOcBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQAQAAACCjBAhQvkBcMEAKgABAnZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
bis(trifluoromethylsulfonyl)azanide;2,4,5-trideuterio-1,3-bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]imidazol-1-ium

> <PUBCHEM_IUPAC_CAS_NAME>
bis(trifluoromethylsulfonyl)azanide;2,4,5-trideuterio-1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-ium

> <PUBCHEM_IUPAC_NAME_MARKUP>
bis(trifluoromethylsulfonyl)azanide;2,4,5-trideuterio-1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-ium

> <PUBCHEM_IUPAC_NAME>
bis(trifluoromethylsulfonyl)azanide;2,4,5-trideuterio-1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-ium

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
bis(trifluoromethylsulfonyl)azanide;2,4,5-trideuterio-1,3-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)imidazol-1-ium

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ditriflylazanide;2,4,5-trideuterio-1,3-bis[1,2,2,2-tetradeuterio-1-(trideuteriomethyl)ethyl]imidazol-1-ium

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H17N2.C2F6NO4S2/c1-8(2)10-5-6-11(7-10)9(3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-9H,1-4H3;/q+1;-1/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D;

> <PUBCHEM_IUPAC_INCHIKEY>
QCYAGTAEXCKVFO-QIKBQFAISA-N

> <PUBCHEM_EXACT_MASS>
450.16317203

> <PUBCHEM_MOLECULAR_FORMULA>
C11H17F6N3O4S2

> <PUBCHEM_MOLECULAR_WEIGHT>
450.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N1C=C[N+](=C1)C(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
[2H]C1=C([N+](=C(N1C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H].C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
94.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
450.16317203

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
17

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  18  8
13  19  8
14  18  8
14  20  8
19  20  8

$$$$