(2S)-2-azaniumyl-2-(4-phenoxyphenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(4-phenoxyphenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(4-phenoxyphenyl)acetate CAS Name: (2S)-2-ammonio-2-(4-phenoxyphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(4-phenoxyphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(4-phenoxyphenyl)acetate Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(C(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H13NO3/c15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9,13H,15H2,(H,16,17)/t13-/m0/s1