4-methoxy-3,3-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-thiolan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-methoxy-3,3-dimethyl-1-(4-methylphenyl)-2-prop-2-enyl-thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-allyl-4-methoxy-3,3-dimethyl-1-(p-tolyl)tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 4-methoxy-3,3-dimethyl-1-(4-methylphenyl)-2-prop-2-enylthiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 4-methoxy-3,3-dimethyl-1-(4-methylphenyl)-2-prop-2-enylthiolan-1-ium; trifluoromethanesulfonate Traditional Name: 2-allyl-4-methoxy-3,3-dimethyl-1-(p-tolyl)tetrahydrothiophen-1-ium triflate Formula: C18H25F3O4S2 MolecularWeight: 426.51391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+]2CC(C(C2CC=C)(C)C)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+]2CC(C(C2CC=C)(C)C)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H25OS.CHF3O3S/c1-6-7-16-17(3,4)15(18-5)12-19(16)14-10-8-13(2)9-11-14;2-1(3,4)8(5,6)7/h6,8-11,15-16H,1,7,12H2,2-5H3;(H,5,6,7)/q+1;/p-1