3-ethoxy-1-phenyl-thiolan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-ethoxy-1-phenyl-thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-ethoxy-1-phenyl-tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 3-ethoxy-1-phenylthiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 3-ethoxy-1-phenylthiolan-1-ium; trifluoromethanesulfonate Traditional Name: 3-ethoxy-1-phenyl-tetrahydrothiophen-1-ium triflate Formula: C13H17F3O4S2 MolecularWeight: 358.39689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H17OS.CHF3O3S/c1-2-13-11-8-9-14(10-11)12-6-4-3-5-7-12;2-1(3,4)8(5,6)7/h3-7,11H,2,8-10H2,1H3;(H,5,6,7)/q+1;/p-1