(2R)-2-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate

Systemtic Name: (2R)-2-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate Openeye Name: (2R)-2-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate CAS Name: (2R)-2-ammonio-3-[3,5-bis(trifluoromethyl)phenyl]propanoate IUPAC Name: (2R)-2-azaniumyl-3-[3,5-bis(trifluoromethyl)phenyl]propanoate Traditional Name: (2R)-2-ammonio-3-[3,5-bis(trifluoromethyl)phenyl]propionate Formula: C11H9F6NO2 MolecularWeight: 301.185079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9F6NO2/c12-10(13,14)6-1-5(3-8(18)9(19)20)2-7(4-6)11(15,16)17/h1-2,4,8H,3,18H2,(H,19,20)/t8-/m1/s1