2-(3-oxidanylidenebutanoylcarbamoyl)benzenesulfonic acid

Systemtic Name: 2-(3-oxidanylidenebutanoylcarbamoyl)benzenesulfonic acid Openeye Name: 2-(3-oxobutanoylcarbamoyl)benzenesulfonic acid CAS Name: 2-[(1,3-dioxobutylamino)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(3-oxobutanoylcarbamoyl)benzenesulfonic acid Traditional Name: 2-(acetoacetylcarbamoyl)besylic acid Formula: C11H11NO6S MolecularWeight: 285.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC(=O)C1=CC=CC=C1S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC(=O)C1=CC=CC=C1S(=O)(=O)O

InChI

InChI=1S/C11H11NO6S/c1-7(13)6-10(14)12-11(15)8-4-2-3-5-9(8)19(16,17)18/h2-5H,6H2,1H3,(H,12,14,15)(H,16,17,18)