4-methylbenzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol

Systemtic Name: 4-methylbenzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol Openeye Name: 4-methylbenzenesulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol CAS Name: 4-methylbenzenesulfonate; 4-(1-thiolan-1-iumyl)phenol IUPAC Name: 4-methylbenzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol Traditional Name: 4-tetrahydrothiophen-1-ium-1-ylphenol tosylate Formula: C17H20O4S2 MolecularWeight: 352.4683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12OS.C7H8O3S/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2,7-8H2;2-5H,1H3,(H,8,9,10)