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

Systemtic Name: 4-methylbenzenesulfonate; 1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone Openeye Name: 4-methylbenzenesulfonate; 1-(2-naphthyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone CAS Name: 4-methylbenzenesulfonate; 1-(2-naphthalenyl)-2-(1-thiolan-1-iumyl)ethanone IUPAC Name: 4-methylbenzenesulfonate; 1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone Traditional Name: 1-(2-naphthyl)-2-tetrahydrothiophen-1-ium-1-yl-ethanone tosylate Formula: C23H24O4S2 MolecularWeight: 428.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[S+](C1)CC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[S+](C1)CC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H17OS.C7H8O3S/c17-16(12-18-9-3-4-10-18)15-8-7-13-5-1-2-6-14(13)11-15;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5-8,11H,3-4,9-10,12H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1