4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)benzenesulfonic acid IUPAC Name: 4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)besylic acid Formula: C10H11NO5S MolecularWeight: 257.26304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5S/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)