(2S)-2-azaniumyl-2-(4-methoxy-3-oxidanyl-phenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(4-methoxy-3-oxidanyl-phenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(3-hydroxy-4-methoxy-phenyl)acetate CAS Name: (2S)-2-ammonio-2-(3-hydroxy-4-methoxyphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(3-hydroxy-4-methoxyphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(3-hydroxy-4-methoxy-phenyl)acetate Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)[O-])[NH3+])O

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C(=O)[O-])[NH3+])O

InChI

InChI=1S/C9H11NO4/c1-14-7-3-2-5(4-6(7)11)8(10)9(12)13/h2-4,8,11H,10H2,1H3,(H,12,13)/t8-/m0/s1