potassium 4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: potassium 4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: potassium 4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: potassium 4-(1,3-dioxobutylamino)benzenesulfonic acid IUPAC Name: potassium 4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: potassium 4-(acetoacetylamino)besylic acid Formula: C10H11KNO5S+ MolecularWeight: 296.36134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)O.[K+]

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)O.[K+]

InChI

InChI=1S/C10H11NO5S.K/c1-7(12)6-10(13)11-8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,11,13)(H,14,15,16);/q;+1