3-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-methyl-2-phenyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate CAS Name: 3-methyl-2-phenyl-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-3-ium; trifluoromethanesulfonate Traditional Name: 3-methyl-2-phenyl-2-oxazolin-3-ium triflate Formula: C11H12F3NO4S MolecularWeight: 311.27749

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OCC1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OCC1)C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12NO.CHF3O3S/c1-11-7-8-12-10(11)9-5-3-2-4-6-9;2-1(3,4)8(5,6)7/h2-6H,7-8H2,1H3;(H,5,6,7)/q+1;/p-1