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

Systemtic Name: 2,4-bis(fluoranyl)benzenesulfonate; 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol Openeye Name: 2,4-difluorobenzenesulfonate; 2,6-dimethyl-4-tetrahydrothiophen-1-ium-1-yl-phenol CAS Name: 2,4-difluorobenzenesulfonate; 2,6-dimethyl-4-(1-thiolan-1-iumyl)phenol IUPAC Name: 2,4-difluorobenzenesulfonate; 2,6-dimethyl-4-(thiolan-1-ium-1-yl)phenol Traditional Name: 2,4-difluorobesylate; 2,6-dimethyl-4-tetrahydrothiophen-1-ium-1-yl-phenol Formula: C18H20F2O4S2 MolecularWeight: 402.475806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)[S+]2CCCC2.C1=CC(=C(C=C1F)F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1O)C)[S+]2CCCC2.C1=CC(=C(C=C1F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16OS.C6H4F2O3S/c1-9-7-11(8-10(2)12(9)13)14-5-3-4-6-14;7-4-1-2-6(5(8)3-4)12(9,10)11/h7-8H,3-6H2,1-2H3;1-3H,(H,9,10,11)