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

Systemtic Name: 3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium; tris(fluoranyl)methanesulfonic acid Openeye Name: 1-(2-isopropylphenyl)-3,3-dimethyl-2,1-benzoxathiol-1-ium; trifluoromethanesulfonic acid CAS Name: 3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium; trifluoromethanesulfonic acid IUPAC Name: 3,3-dimethyl-1-(2-propan-2-ylphenyl)-2,1-benzoxathiol-1-ium; trifluoromethanesulfonic acid Traditional Name: 3,3-dimethyl-1-o-cumenyl-2,1-benzoxathiol-1-ium; triflic acid Formula: C19H22F3O4S2+ MolecularWeight: 435.50079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(O2)(C)C.C(F)(F)(F)S(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(O2)(C)C.C(F)(F)(F)S(=O)(=O)O

InChI

InChI=1S/C18H21OS.CHF3O3S/c1-13(2)14-9-5-7-11-16(14)20-17-12-8-6-10-15(17)18(3,4)19-20;2-1(3,4)8(5,6)7/h5-13H,1-4H3;(H,5,6,7)/q+1;