1-[(2,6-dimethylphenyl)methyl]thian-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[(2,6-dimethylphenyl)methyl]thian-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-[(2,6-dimethylphenyl)methyl]tetrahydrothiopyran-1-ium; trifluoromethanesulfonate CAS Name: 1-[(2,6-dimethylphenyl)methyl]thian-1-ium; trifluoromethanesulfonate IUPAC Name: 1-[(2,6-dimethylphenyl)methyl]thian-1-ium; trifluoromethanesulfonate Traditional Name: 1-(2,6-dimethylbenzyl)tetrahydrothiopyran-1-ium triflate Formula: C15H21F3O3S2 MolecularWeight: 370.45065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C[S+]2CCCCC2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)C[S+]2CCCCC2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H21S.CHF3O3S/c1-12-7-6-8-13(2)14(12)11-15-9-4-3-5-10-15;2-1(3,4)8(5,6)7/h6-8H,3-5,9-11H2,1-2H3;(H,5,6,7)/q+1;/p-1