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

Systemtic Name: 3-methoxy-1-phenyl-thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-methoxy-1-phenyl-tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 3-methoxy-1-phenylthiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 3-methoxy-1-phenylthiolan-1-ium; trifluoromethanesulfonate Traditional Name: 3-methoxy-1-phenyl-tetrahydrothiophen-1-ium triflate Formula: C12H15F3O4S2 MolecularWeight: 344.37031

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COC1CC[S+](C1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H15OS.CHF3O3S/c1-12-10-7-8-13(9-10)11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-6,10H,7-9H2,1H3;(H,5,6,7)/q+1;/p-1