4-[(3R)-3-(trifluoromethyl)-1,2-diazirin-1-ium-3-yl]benzoate

Systemtic Name: 4-[(3R)-3-(trifluoromethyl)-1,2-diazirin-1-ium-3-yl]benzoate Openeye Name: 4-[(3R)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate CAS Name: 4-[(3R)-3-(trifluoromethyl)-3-diazirin-1-iumyl]benzoate IUPAC Name: 4-[(3R)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate Traditional Name: 4-[(3R)-3-(trifluoromethyl)diazirin-1-ium-3-yl]benzoate Formula: C9H5F3N2O2 MolecularWeight: 230.14341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])C2([NH+]=N2)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])[C@@]2([NH+]=N2)C(F)(F)F

InChI

InChI=1S/C9H5F3N2O2/c10-9(11,12)8(13-14-8)6-3-1-5(2-4-6)7(15)16/h1-4H,(H,15,16)