2-[bis[3-(trifluoromethyl)phenyl]azaniumyl]-2-oxidanylidene-ethanoate chloride

Systemtic Name: 2-[bis[3-(trifluoromethyl)phenyl]azaniumyl]-2-oxidanylidene-ethanoate chloride Openeye Name: 2-[bis[3-(trifluoromethyl)phenyl]ammonio]-2-oxo-acetate chloride CAS Name: 2-[bis[3-(trifluoromethyl)phenyl]ammonio]-2-oxoacetate chloride IUPAC Name: 2-[bis[3-(trifluoromethyl)phenyl]azaniumyl]-2-oxoacetate chloride Traditional Name: 2-[bis[3-(trifluoromethyl)phenyl]ammonio]-2-keto-acetate chloride Formula: C16H9ClF6NO3- MolecularWeight: 412.690979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[NH+](C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=O)[O-])C(F)(F)F.[Cl-]

Isomeric SMILES

C1=CC(=CC(=C1)[NH+](C2=CC=CC(=C2)C(F)(F)F)C(=O)C(=O)[O-])C(F)(F)F.[Cl-]

InChI

InChI=1S/C16H9F6NO3.ClH/c17-15(18,19)9-3-1-5-11(7-9)23(13(24)14(25)26)12-6-2-4-10(8-12)16(20,21)22;/h1-8H,(H,25,26);1H/p-1