3-[(2,2-dimethyl-3-oxidanylidene-butanoyl)amino]benzenesulfonic acid

Systemtic Name: 3-[(2,2-dimethyl-3-oxidanylidene-butanoyl)amino]benzenesulfonic acid Openeye Name: 3-[(2,2-dimethyl-3-oxo-butanoyl)amino]benzenesulfonic acid CAS Name: 3-[(2,2-dimethyl-1,3-dioxobutyl)amino]benzenesulfonic acid IUPAC Name: 3-[(2,2-dimethyl-3-oxobutanoyl)amino]benzenesulfonic acid Traditional Name: 3-[(3-keto-2,2-dimethyl-butanoyl)amino]besylic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-8(14)12(2,3)11(15)13-9-5-4-6-10(7-9)19(16,17)18/h4-7H,1-3H3,(H,13,15)(H,16,17,18)