(2R,4R)-2-azaniumyl-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioate

Systemtic Name: (2R,4R)-2-azaniumyl-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioate Openeye Name: (2R,4R)-2-azaniumyl-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioate CAS Name: (2R,4R)-2-ammonio-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioate IUPAC Name: (2R,4R)-2-azaniumyl-4-[[4-(trifluoromethyl)phenyl]methyl]pentanedioate Traditional Name: (2R,4R)-2-ammonio-4-[4-(trifluoromethyl)benzyl]glutarate Formula: C13H13F3NO4- MolecularWeight: 304.24183

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(C(=O)[O-])[NH3+])C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C[C@H](C[C@H](C(=O)[O-])[NH3+])C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H14F3NO4/c14-13(15,16)9-3-1-7(2-4-9)5-8(11(18)19)6-10(17)12(20)21/h1-4,8,10H,5-6,17H2,(H,18,19)(H,20,21)/p-1/t8-,10-/m1/s1