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

Systemtic Name: 1-phenyl-3-propoxy-thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-phenyl-3-propoxy-tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1-phenyl-3-propoxythiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 1-phenyl-3-propoxythiolan-1-ium; trifluoromethanesulfonate Traditional Name: 1-phenyl-3-propoxy-tetrahydrothiophen-1-ium triflate Formula: C14H19F3O4S2 MolecularWeight: 372.42347

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCOC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H19OS.CHF3O3S/c1-2-9-14-12-8-10-15(11-12)13-6-4-3-5-7-13;2-1(3,4)8(5,6)7/h3-7,12H,2,8-11H2,1H3;(H,5,6,7)/q+1;/p-1