sodium [4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl] sulfate

Systemtic Name: sodium [4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl] sulfate Openeye Name: sodium [4-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]phenyl] sulfate CAS Name: sodium [4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]phenyl] sulfate IUPAC Name: sodium [4-[(2S)-2-amino-3-hydroxy-3-oxopropyl]phenyl] sulfate Traditional Name: sodium [4-[(2S)-2-amino-3-hydroxy-3-keto-propyl]phenyl] sulfate Formula: C9H10NNaO6S MolecularWeight: 283.23357

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C9H11NO6S.Na/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);/q;+1/p-1/t8-;/m0./s1