4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyldiazenyl]benzoic acid

Systemtic Name: 4-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanyldiazenyl]benzoic acid Openeye Name: 4-(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylazobenzoic acid CAS Name: 4-[(2-acetamido-3-hydroxy-3-oxopropyl)thio]azobenzoic acid IUPAC Name: 4-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanyldiazenyl]benzoic acid Traditional Name: 4-[(2-acetamido-3-hydroxy-3-keto-propyl)thio]azobenzoic acid Formula: C12H13N3O5S MolecularWeight: 311.31372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSN=NC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSN=NC1=CC=C(C=C1)C(=O)O)C(=O)O

InChI

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