[1,3-bis(oxidanyl)-1-oxidanylidene-pentan-2-yl]-tert-butyl-phenyl-(trifluoromethyl)azanium

Systemtic Name: [1,3-bis(oxidanyl)-1-oxidanylidene-pentan-2-yl]-tert-butyl-phenyl-(trifluoromethyl)azanium Openeye Name: tert-butyl-(1-carboxy-2-hydroxy-butyl)-phenyl-(trifluoromethyl)ammonium CAS Name: tert-butyl-(1,3-dihydroxy-1-oxopentan-2-yl)-phenyl-(trifluoromethyl)ammonium IUPAC Name: tert-butyl-(1,3-dihydroxy-1-oxopentan-2-yl)-phenyl-(trifluoromethyl)azanium Traditional Name: tert-butyl-(1-carboxy-2-hydroxy-butyl)-phenyl-(trifluoromethyl)ammonium Formula: C16H23F3NO3+ MolecularWeight: 334.35393

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)O)[N+](C1=CC=CC=C1)(C(C)(C)C)C(F)(F)F)O

Isomeric SMILES

CCC(C(C(=O)O)[N+](C1=CC=CC=C1)(C(C)(C)C)C(F)(F)F)O

InChI

InChI=1S/C16H22F3NO3/c1-5-12(21)13(14(22)23)20(15(2,3)4,16(17,18)19)11-9-7-6-8-10-11/h6-10,12-13,21H,5H2,1-4H3/p+1