sulfo (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoate

Systemtic Name: sulfo (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoate Openeye Name: sulfo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid sulfo ester IUPAC Name: sulfo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid sulfo ester Formula: C9H11NO6S MolecularWeight: 261.25174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)OS(=O)(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)OS(=O)(=O)O)N)O

InChI

InChI=1S/C9H11NO6S/c10-8(9(12)16-17(13,14)15)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,13,14,15)/t8-/m0/s1