carboxymethyl-(4-cyanophenyl)-methyl-sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: carboxymethyl-(4-cyanophenyl)-methyl-sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: carboxymethyl-(4-cyanophenyl)-methyl-sulfonium; trifluoromethanesulfonate CAS Name: carboxymethyl-(4-cyanophenyl)-methylsulfonium; trifluoromethanesulfonate IUPAC Name: carboxymethyl-(4-cyanophenyl)-methylsulfanium; trifluoromethanesulfonate Traditional Name: carboxymethyl-(4-cyanophenyl)-methyl-sulfonium triflate Formula: C11H10F3NO5S2 MolecularWeight: 357.32601

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](CC(=O)O)C1=CC=C(C=C1)C#N.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[S+](CC(=O)O)C1=CC=C(C=C1)C#N.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H9NO2S.CHF3O3S/c1-14(7-10(12)13)9-4-2-8(6-11)3-5-9;2-1(3,4)8(5,6)7/h2-5H,7H2,1H3;(H,5,6,7)