3-[[(2S)-2-acetamido-3-oxidanidyl-3-oxidanylidene-propyl]sulfanyldiazenyl]benzoate

Systemtic Name: 3-[[(2S)-2-acetamido-3-oxidanidyl-3-oxidanylidene-propyl]sulfanyldiazenyl]benzoate Openeye Name: 3-[(2S)-2-acetamido-3-oxido-3-oxo-propyl]sulfanylazobenzoate CAS Name: 3-[[(2S)-2-acetamido-3-oxido-3-oxopropyl]thio]azobenzoate IUPAC Name: 3-[[(2S)-2-acetamido-3-oxido-3-oxopropyl]sulfanyldiazenyl]benzoate Traditional Name: 3-[[(2S)-2-acetamido-3-keto-3-oxido-propyl]thio]azobenzoate Formula: C12H11N3O5S-2 MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSN=NC1=CC=CC(=C1)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)N[C@H](CSN=NC1=CC=CC(=C1)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H13N3O5S/c1-7(16)13-10(12(19)20)6-21-15-14-9-4-2-3-8(5-9)11(17)18/h2-5,10H,6H2,1H3,(H,13,16)(H,17,18)(H,19,20)/p-2/t10-/m1/s1