2-acetamido-5-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]sulfonyl]benzoic acid

Systemtic Name: 2-acetamido-5-[[3,6-bis(oxidanylidene)-1H-pyridazin-2-yl]sulfonyl]benzoic acid Openeye Name: 2-acetamido-5-[(3,6-dioxo-1H-pyridazin-2-yl)sulfonyl]benzoic acid CAS Name: 2-acetamido-5-[(3,6-dioxo-1H-pyridazin-2-yl)sulfonyl]benzoic acid IUPAC Name: 2-acetamido-5-[(3,6-dioxo-1H-pyridazin-2-yl)sulfonyl]benzoic acid Traditional Name: 2-acetamido-5-[(3,6-diketo-1H-pyridazin-2-yl)sulfonyl]benzoic acid Formula: C13H11N3O7S MolecularWeight: 353.30734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2C(=O)C=CC(=O)N2)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)N2C(=O)C=CC(=O)N2)C(=O)O

InChI

InChI=1S/C13H11N3O7S/c1-7(17)14-10-3-2-8(6-9(10)13(20)21)24(22,23)16-12(19)5-4-11(18)15-16/h2-6H,1H3,(H,14,17)(H,15,18)(H,20,21)