3-pyridin-4-ylphenol; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 3-pyridin-4-ylphenol; tris(fluoranyl)methanesulfonic acid Openeye Name: 3-(4-pyridyl)phenol; trifluoromethanesulfonic acid CAS Name: 3-pyridin-4-ylphenol; trifluoromethanesulfonic acid IUPAC Name: 3-pyridin-4-ylphenol; trifluoromethanesulfonic acid Traditional Name: 3-(4-pyridyl)phenol; triflic acid Formula: C12H10F3NO4S MolecularWeight: 321.27231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=CC=NC=C2.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=CC=NC=C2.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C11H9NO.CHF3O3S/c13-11-3-1-2-10(8-11)9-4-6-12-7-5-9;2-1(3,4)8(5,6)7/h1-8,13H;(H,5,6,7)