(3S)-3-azaniumyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: (3S)-3-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate CAS Name: (3S)-3-ammonio-3-(3,4-dihydroxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(3,4-dihydroxyphenyl)propionate Formula: C9H11NO4 MolecularWeight: 197.18794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO4/c10-6(4-9(13)14)5-1-2-7(11)8(12)3-5/h1-3,6,11-12H,4,10H2,(H,13,14)/t6-/m0/s1