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

Systemtic Name: benzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol Openeye Name: benzenesulfonate; 4-tetrahydrothiophen-1-ium-1-ylphenol CAS Name: benzenesulfonate; 4-(1-thiolan-1-iumyl)phenol IUPAC Name: benzenesulfonate; 4-(thiolan-1-ium-1-yl)phenol Traditional Name: 4-tetrahydrothiophen-1-ium-1-ylphenol besylate Formula: C16H18O4S2 MolecularWeight: 338.44172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12OS.C6H6O3S/c11-9-3-5-10(6-4-9)12-7-1-2-8-12;7-10(8,9)6-4-2-1-3-5-6/h3-6H,1-2,7-8H2;1-5H,(H,7,8,9)