methyl-[(4-nitronaphthalen-1-yl)methyl]sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: methyl-[(4-nitronaphthalen-1-yl)methyl]sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: methyl-[(4-nitro-1-naphthyl)methyl]sulfonium; trifluoromethanesulfonate CAS Name: methyl-[(4-nitro-1-naphthalenyl)methyl]sulfonium; trifluoromethanesulfonate IUPAC Name: methyl-[(4-nitronaphthalen-1-yl)methyl]sulfanium; trifluoromethanesulfonate Traditional Name: methyl-[(4-nitro-1-naphthyl)methyl]sulfonium triflate Formula: C13H12F3NO5S2 MolecularWeight: 383.36329

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Descriptors Computed from Structure

Canonical SMILES:

C[SH+]CC1=CC=C(C2=CC=CC=C12)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[SH+]CC1=CC=C(C2=CC=CC=C12)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H11NO2S.CHF3O3S/c1-16-8-9-6-7-12(13(14)15)11-5-3-2-4-10(9)11;2-1(3,4)8(5,6)7/h2-7H,8H2,1H3;(H,5,6,7)