benzenesulfonate; 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol

Systemtic Name: benzenesulfonate; 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol Openeye Name: benzenesulfonate; 2,6-dimethyl-4-tetrahydrothiophen-1-ium-1-yl-phenol CAS Name: benzenesulfonate; 2,6-dimethyl-4-(1-thiolan-1-iumyl)phenol IUPAC Name: benzenesulfonate; 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol Traditional Name: 2,6-dimethyl-4-tetrahydrothiophen-1-ium-1-yl-phenol besylate Formula: C18H22O4S2 MolecularWeight: 366.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[S+]2CCCC2.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[S+]2CCCC2.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16OS.C6H6O3S/c1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;7-10(8,9)6-4-2-1-3-5-6/h7-8H,3-6H2,1-2H3;1-5H,(H,7,8,9)