2758875
  -OEChem-04242410082D

  8  7  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3660    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 C   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  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3  8  1  0  0  0  0
  4  8  1  0  0  0  0
M  CHG  1   5  -1
M  END
> <PUBCHEM_COMPOUND_CID>
2758875

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
145

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQAAAAAAAAAABAAAAAAAAIAAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trifluoromethanesulfonate

> <PUBCHEM_IUPAC_CAS_NAME>
trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME_MARKUP>
trifluoromethanesulfonate

> <PUBCHEM_IUPAC_NAME>
trifluoromethanesulfonate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(fluoranyl)methanesulfonate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triflate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
ITMCEJHCFYSIIV-UHFFFAOYSA-M

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
148.95202452

> <PUBCHEM_MOLECULAR_FORMULA>
CF3O3S-

> <PUBCHEM_MOLECULAR_WEIGHT>
149.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(F)(F)(F)S(=O)(=O)[O-]

> <PUBCHEM_CACTVS_TPSA>
65.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
148.95202452

> <PUBCHEM_TOTAL_CHARGE>
-1

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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

$$$$
