3-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 3-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 3-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 3-(1,3-dioxobutylamino)benzenesulfonic acid IUPAC Name: 3-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 3-(acetoacetylamino)besylic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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