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

Systemtic Name: (2S)-2-azaniumyl-2-(3-ethoxy-4-oxidanyl-phenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(3-ethoxy-4-hydroxy-phenyl)acetate CAS Name: (2S)-2-ammonio-2-(3-ethoxy-4-hydroxyphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(3-ethoxy-4-hydroxyphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(3-ethoxy-4-hydroxy-phenyl)acetate Formula: C10H13NO4 MolecularWeight: 211.21452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)[O-])[NH3+])O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H](C(=O)[O-])[NH3+])O

InChI

InChI=1S/C10H13NO4/c1-2-15-8-5-6(3-4-7(8)12)9(11)10(13)14/h3-5,9,12H,2,11H2,1H3,(H,13,14)/t9-/m0/s1