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

Systemtic Name: benzenesulfonate; 1-(4-butoxy-3,5-dimethyl-phenyl)thiolan-1-ium Openeye Name: benzenesulfonate; 1-(4-butoxy-3,5-dimethyl-phenyl)tetrahydrothiophen-1-ium CAS Name: benzenesulfonate; 1-(4-butoxy-3,5-dimethylphenyl)thiolan-1-ium IUPAC Name: benzenesulfonate; 1-(4-butoxy-3,5-dimethylphenyl)thiolan-1-ium Traditional Name: 1-(4-butoxy-3,5-dimethyl-phenyl)tetrahydrothiophen-1-ium besylate Formula: C22H30O4S2 MolecularWeight: 422.6012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25OS.C6H6O3S/c1-4-5-8-17-16-13(2)11-15(12-14(16)3)18-9-6-7-10-18;7-10(8,9)6-4-2-1-3-5-6/h11-12H,4-10H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1