[(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]azanium bromide

Systemtic Name: [(2S)-4-oxidanyl-1,4-bis(oxidanylidene)-1-phenyl-butan-2-yl]azanium bromide Openeye Name: [(1S)-1-benzoyl-3-hydroxy-3-oxo-propyl]ammonium bromide CAS Name: [(2S)-4-hydroxy-1,4-dioxo-1-phenylbutan-2-yl]ammonium bromide IUPAC Name: [(2S)-4-hydroxy-1,4-dioxo-1-phenylbutan-2-yl]azanium bromide Traditional Name: [(1S)-1-benzoyl-3-hydroxy-3-keto-propyl]ammonium bromide Formula: C10H12BrNO3 MolecularWeight: 274.11118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO3.BrH/c11-8(6-9(12)13)10(14)7-4-2-1-3-5-7;/h1-5,8H,6,11H2,(H,12,13);1H/t8-;/m0./s1