4-[(2S)-2-azaniumyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]benzoate

Systemtic Name: 4-[(2S)-2-azaniumyl-1-oxidanidyl-1-oxidanylidene-propan-2-yl]benzoate Openeye Name: 4-[(1S)-1-azaniumyl-1-methyl-2-oxido-2-oxo-ethyl]benzoate CAS Name: 4-[(2S)-2-ammonio-1-oxido-1-oxopropan-2-yl]benzoate IUPAC Name: 4-[(2S)-2-azaniumyl-1-oxido-1-oxopropan-2-yl]benzoate Traditional Name: 4-[(1S)-1-ammonio-2-keto-1-methyl-2-oxido-ethyl]benzoate Formula: C10H10NO4- MolecularWeight: 208.1907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)/p-1/t10-/m0/s1