Ketcher 07061613042D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
   23.6553  -19.4349    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   24.5211  -19.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3869  -19.4349    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.2527  -19.9348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8871  -18.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8868  -18.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5241  -20.9346    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   23.6568  -20.4407    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  3  2  0     0  0
  6  3  2  0     0  0
  2  7  1  0     0  0
  2  8  1  0     0  0
M  END
> <ID>
CHEBI:48511

> <NAME>
triflic acid

> <DEFINITION>
A one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines.

> <STAR>
3

> <SYNONYM>
trifluoromethanesulphonic acid; trifluoromethane sulfonic acid; Trifluormethansulfonsaeure; Triflic acid; TfOH; perfluoromethanesulfonic acid; HOTf; CF3SO3H; acide trifluoromethanesulfonique; acide triflique; 1,1,1-trifluoromethanesulfonic acid

> <IUPAC_NAME>
trifluoromethanesulfonic acid

> <FORMULA>
CHF3O3S

> <MASS>
150.078

> <MONOISOTOPIC_MASS>
149.95985

> <CHARGE>
0

> <SMILES>
FC(S(O)(=O)=O)(F)F

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

> <INCHIKEY>
ITMCEJHCFYSIIV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1812100

> <CAS_REGISTRY_NUMBER>
1493-13-6

> <GMELIN_REGISTRY_NUMBER>
2805

> <CHEMIDPLUS>
1493-13-6

> <NIST_CHEMISTRY_WEBBOOK>
1493-13-6

$$$$