1-naphthalen-1-yl-2-(thiolan-1-ium-1-yl)ethanone; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: 1-naphthalen-1-yl-2-(thiolan-1-ium-1-yl)ethanone; 4-(trifluoromethyl)benzenesulfonate Openeye Name: 1-(1-naphthyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone; 4-(trifluoromethyl)benzenesulfonate CAS Name: 1-(1-naphthalenyl)-2-(1-thiolan-1-iumyl)ethanone; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: 1-naphthalen-1-yl-2-(thiolan-1-ium-1-yl)ethanone; 4-(trifluoromethyl)benzenesulfonate Traditional Name: 1-(1-naphthyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone; 4-(trifluoromethyl)besylate Formula: C23H21F3O4S2 MolecularWeight: 482.53565

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)CC(=O)C2=CC=CC3=CC=CC=C32.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[S+](C1)CC(=O)C2=CC=CC3=CC=CC=C32.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H17OS.C7H5F3O3S/c17-16(12-18-10-3-4-11-18)15-9-5-7-13-6-1-2-8-14(13)15;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-2,5-9H,3-4,10-12H2;1-4H,(H,11,12,13)/q+1;/p-1