3,3-dimethyl-1-phenyl-2,1-benzoxathiol-1-ium; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 3,3-dimethyl-1-phenyl-2,1-benzoxathiol-1-ium; tris(fluoranyl)methanesulfonic acid Openeye Name: 3,3-dimethyl-1-phenyl-2,1-benzoxathiol-1-ium; trifluoromethanesulfonic acid CAS Name: 3,3-dimethyl-1-phenyl-2,1-benzoxathiol-1-ium; trifluoromethanesulfonic acid IUPAC Name: 3,3-dimethyl-1-phenyl-2,1-benzoxathiol-1-ium; trifluoromethanesulfonic acid Traditional Name: 3,3-dimethyl-1-phenyl-2,1-benzoxathiol-1-ium; triflic acid Formula: C16H16F3O4S2+ MolecularWeight: 393.42105

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[S+](O1)C3=CC=CC=C3)C.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CC1(C2=CC=CC=C2[S+](O1)C3=CC=CC=C3)C.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C15H15OS.CHF3O3S/c1-15(2)13-10-6-7-11-14(13)17(16-15)12-8-4-3-5-9-12;2-1(3,4)8(5,6)7/h3-11H,1-2H3;(H,5,6,7)/q+1;