62406
  -OEChem-05112407502D

  9  8  0     0  0  0  0  0  0999 V2000
    3.4030   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -0.6160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7690    1.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    0.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -1.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4400    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  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
  5  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62406

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
158

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMYBAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQQACAAAAAAAABAAAAAAAIIAAAAAAHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trifluoromethanesulfonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
trifluoromethanesulfonic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
trifluoromethanesulfonic acid

> <PUBCHEM_IUPAC_NAME>
trifluoromethanesulfonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tris(fluoranyl)methanesulfonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
triflic acid

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

> <PUBCHEM_IUPAC_INCHIKEY>
ITMCEJHCFYSIIV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.3

> <PUBCHEM_EXACT_MASS>
149.95984955

> <PUBCHEM_MOLECULAR_FORMULA>
CHF3O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
150.08

> <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>
62.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.95984955

> <PUBCHEM_TOTAL_CHARGE>
0

> <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

$$$$