2-methyl-1-phenyl-1-benzothiophen-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-methyl-1-phenyl-1-benzothiophen-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-1-phenyl-benzothiophen-1-ium; trifluoromethanesulfonate CAS Name: 2-methyl-1-phenyl-1-benzothiophen-1-ium; trifluoromethanesulfonate IUPAC Name: 2-methyl-1-phenyl-1-benzothiophen-1-ium; trifluoromethanesulfonate Traditional Name: 2-methyl-1-phenyl-benzothiophen-1-ium triflate Formula: C16H13F3O3S2 MolecularWeight: 374.39783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[S+]1C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=CC=CC=C2[S+]1C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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