[3-(4-bromophenyl)-3-oxidanylidene-propyl]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: [3-(4-bromophenyl)-3-oxidanylidene-propyl]azanium; tris(fluoranyl)methanesulfonate Openeye Name: [3-(4-bromophenyl)-3-oxo-propyl]ammonium; trifluoromethanesulfonate CAS Name: [3-(4-bromophenyl)-3-oxopropyl]ammonium; trifluoromethanesulfonate IUPAC Name: [3-(4-bromophenyl)-3-oxopropyl]azanium; trifluoromethanesulfonate Traditional Name: [3-(4-bromophenyl)-3-keto-propyl]ammonium triflate Formula: C10H11BrF3NO4S MolecularWeight: 378.16285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC[NH3+])Br.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC[NH3+])Br.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H10BrNO.CHF3O3S/c10-8-3-1-7(2-4-8)9(12)5-6-11;2-1(3,4)8(5,6)7/h1-4H,5-6,11H2;(H,5,6,7)