1-[(4-nitrophenyl)methyl]thiolan-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-[(4-nitrophenyl)methyl]thiolan-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-[(4-nitrophenyl)methyl]tetrahydrothiophen-1-ium; trifluoromethanesulfonate CAS Name: 1-[(4-nitrophenyl)methyl]thiolan-1-ium; trifluoromethanesulfonate IUPAC Name: 1-[(4-nitrophenyl)methyl]thiolan-1-ium; trifluoromethanesulfonate Traditional Name: 1-(4-nitrobenzyl)tetrahydrothiophen-1-ium triflate Formula: C12H14F3NO5S2 MolecularWeight: 373.36847

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](C1)CC2=CC=C(C=C2)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC[S+](C1)CC2=CC=C(C=C2)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H14NO2S.CHF3O3S/c13-12(14)11-5-3-10(4-6-11)9-15-7-1-2-8-15;2-1(3,4)8(5,6)7/h3-6H,1-2,7-9H2;(H,5,6,7)/q+1;/p-1