2,4-bis(fluoranyl)benzenesulfonate; 1-(4-butoxy-3,5-dimethyl-phenyl)thiolan-1-ium

Systemtic Name: 2,4-bis(fluoranyl)benzenesulfonate; 1-(4-butoxy-3,5-dimethyl-phenyl)thiolan-1-ium Openeye Name: 1-(4-butoxy-3,5-dimethyl-phenyl)tetrahydrothiophen-1-ium; 2,4-difluorobenzenesulfonate CAS Name: 1-(4-butoxy-3,5-dimethylphenyl)thiolan-1-ium; 2,4-difluorobenzenesulfonate IUPAC Name: 1-(4-butoxy-3,5-dimethylphenyl)thiolan-1-ium; 2,4-difluorobenzenesulfonate Traditional Name: 1-(4-butoxy-3,5-dimethyl-phenyl)tetrahydrothiophen-1-ium; 2,4-difluorobesylate Formula: C22H28F2O4S2 MolecularWeight: 458.582126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1C)[S+]2CCCC2)C.C1=CC(=C(C=C1F)F)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1C)[S+]2CCCC2)C.C1=CC(=C(C=C1F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H25OS.C6H4F2O3S/c1-4-5-8-17-16-13(2)11-15(12-14(16)3)18-9-6-7-10-18;7-4-1-2-6(5(8)3-4)12(9,10)11/h11-12H,4-10H2,1-3H3;1-3H,(H,9,10,11)/q+1;/p-1