1-phenylthiolan-1-ium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: 1-phenylthiolan-1-ium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: 1-phenyltetrahydrothiophen-1-ium; 4-(trifluoromethyl)benzenesulfonate CAS Name: 1-phenylthiolan-1-ium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: 1-phenylthiolan-1-ium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: 1-phenyltetrahydrothiophen-1-ium; 4-(trifluoromethyl)besylate Formula: C17H17F3O3S2 MolecularWeight: 390.44029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13S.C7H5F3O3S/c1-2-6-10(7-3-1)11-8-4-5-9-11;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-3,6-7H,4-5,8-9H2;1-4H,(H,11,12,13)/q+1;/p-1