(2S)-2-azaniumyl-3-[2,3-bis(chloranyl)-4-oxidanyl-phenyl]propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[2,3-bis(chloranyl)-4-oxidanyl-phenyl]propanoate Openeye Name: (2S)-2-azaniumyl-3-(2,3-dichloro-4-hydroxy-phenyl)propanoate CAS Name: (2S)-2-ammonio-3-(2,3-dichloro-4-hydroxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(2,3-dichloro-4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(2,3-dichloro-4-hydroxy-phenyl)propionate Formula: C9H9Cl2NO3 MolecularWeight: 250.07866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC(C(=O)[O-])[NH3+])Cl)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C9H9Cl2NO3/c10-7-4(3-5(12)9(14)15)1-2-6(13)8(7)11/h1-2,5,13H,3,12H2,(H,14,15)/t5-/m0/s1