4-(thiolan-1-ium-1-yl)phenol; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: 4-(thiolan-1-ium-1-yl)phenol; 4-(trifluoromethyl)benzenesulfonate Openeye Name: 4-tetrahydrothiophen-1-ium-1-ylphenol; 4-(trifluoromethyl)benzenesulfonate CAS Name: 4-(1-thiolan-1-iumyl)phenol; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: 4-(thiolan-1-ium-1-yl)phenol; 4-(trifluoromethyl)benzenesulfonate Traditional Name: 4-tetrahydrothiophen-1-ium-1-ylphenol; 4-(trifluoromethyl)besylate Formula: C17H17F3O4S2 MolecularWeight: 406.43969

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)C2=CC=C(C=C2)O.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[S+](C1)C2=CC=C(C=C2)O.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12OS.C7H5F3O3S/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h3-6H,1-2,7-8H2;1-4H,(H,11,12,13)