54589443
  -OEChem-04262420162D

 29 28  0     0  0  0  0  0  0999 V2000
    6.3301    3.8494    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.6747    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    3.6747    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2320    2.3087    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2320    4.0408    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3301    3.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    3.8494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1747    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3660    3.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    1.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.8494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    1.3106    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3301    4.8494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.3494    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5981    5.8494    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    7.1391    2.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5211    2.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0902    2.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4179    0.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9314    2.4532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4657    0.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2818    1.9810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6799    2.7623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8986    3.1603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9163    0.1372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7823    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9195    0.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  1  7  2  0  0  0  0
  1 11  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  2 10  2  0  0  0  0
  2 21  1  0  0  0  0
  3 21  1  0  0  0  0
  4 21  1  0  0  0  0
  5 21  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  1  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
 20 29  1  0  0  0  0
M  CHG  4   8  -1  12   1  14   1  15  -1
M  END
> <PUBCHEM_COMPOUND_CID>
54589443

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
472

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBjuYBgAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHQQIQAAAAADBAxQvkBcMEAKiABInZHAAgC0REqAJQAAYMACASAAACAAQAAAIAAKAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-diazo-2,3-dimethyl-imidazol-3-ium-1-sulfonamide;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
N-diazo-2,3-dimethyl-1-imidazol-3-iumsulfonamide;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-diazo-2,3-dimethylimidazol-3-ium-1-sulfonamide;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
N-diazo-2,3-dimethylimidazol-3-ium-1-sulfonamide;trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-diazo-2,3-dimethyl-imidazol-3-ium-1-sulfonamide;tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-diazo-2,3-dimethyl-imidazol-3-ium-1-sulfonamide;triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H8N5O2S.CHF3O3S/c1-5-9(2)3-4-10(5)13(11,12)8-7-6;2-1(3,4)8(5,6)7/h3-4H,1-2H3;(H,5,6,7)/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
SINSLNOQOSKPAC-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
350.99189521

> <PUBCHEM_MOLECULAR_FORMULA>
C6H8F3N5O5S2

> <PUBCHEM_MOLECULAR_WEIGHT>
351.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=[N+](C=CN1S(=O)(=O)N=[N+]=[N-])C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=[N+](C=CN1S(=O)(=O)N=[N+]=[N-])C.C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
131

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.99189521

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
11  17  8
12  16  8
12  18  8
13  14  1
17  18  8

$$$$