(2S)-2-azaniumyl-3-(4-sulfonatooxyphenyl)propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(4-sulfonatooxyphenyl)propanoate Openeye Name: (2S)-2-azaniumyl-3-(4-sulfonatooxyphenyl)propanoate CAS Name: (2S)-2-ammonio-3-(4-sulfonatooxyphenyl)propanoate IUPAC Name: (2S)-2-azaniumyl-3-(4-sulfonatooxyphenyl)propanoate Traditional Name: (2S)-2-ammonio-3-(4-sulfatophenyl)propionate Formula: C9H10NO6S- MolecularWeight: 260.2438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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