4-[(1S)-1-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]benzoate

Systemtic Name: 4-[(1S)-1-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]benzoate Openeye Name: 4-[(1S)-1-azaniumyl-3-oxido-3-oxo-propyl]benzoate CAS Name: 4-[(1S)-1-ammonio-3-oxido-3-oxopropyl]benzoate IUPAC Name: 4-[(1S)-1-azaniumyl-3-oxido-3-oxopropyl]benzoate Traditional Name: 4-[(1S)-1-ammonio-3-keto-3-oxido-propyl]benzoate Formula: C10H10NO4- MolecularWeight: 208.1907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c11-8(5-9(12)13)6-1-3-7(4-2-6)10(14)15/h1-4,8H,5,11H2,(H,12,13)(H,14,15)/p-1/t8-/m0/s1