4-methylbenzenesulfonate; 1-phenylthiolan-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-phenylthiolan-1-ium Openeye Name: 4-methylbenzenesulfonate; 1-phenyltetrahydrothiophen-1-ium CAS Name: 4-methylbenzenesulfonate; 1-phenylthiolan-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-phenylthiolan-1-ium Traditional Name: 1-phenyltetrahydrothiophen-1-ium tosylate Formula: C17H20O3S2 MolecularWeight: 336.4689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13S.C7H8O3S/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6-7H,4-5,8-9H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1