1-(4-methylphenyl)-1-benzothiophen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(4-methylphenyl)-1-benzothiophen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-(p-tolyl)benzothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1-(4-methylphenyl)-1-benzothiophen-1-ium; trifluoromethanesulfonate IUPAC Name: 1-(4-methylphenyl)-1-benzothiophen-1-ium; trifluoromethanesulfonate Traditional Name: 1-(p-tolyl)benzothiophen-1-ium triflate Formula: C16H13F3O3S2 MolecularWeight: 374.39783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S+]2C=CC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[S+]2C=CC3=CC=CC=C32.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H13S.CHF3O3S/c1-12-6-8-14(9-7-12)16-11-10-13-4-2-3-5-15(13)16;2-1(3,4)8(5,6)7/h2-11H,1H3;(H,5,6,7)/q+1;/p-1