2,5-dimethoxy-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 2,5-dimethoxy-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2,5-dimethoxy-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 4-(1,3-dioxobutylamino)-2,5-dimethoxybenzenesulfonic acid IUPAC Name: 2,5-dimethoxy-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-2,5-dimethoxy-besylic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)O)OC

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)O)OC

InChI

InChI=1S/C12H15NO7S/c1-7(14)4-12(15)13-8-5-10(20-3)11(21(16,17)18)6-9(8)19-2/h5-6H,4H2,1-3H3,(H,13,15)(H,16,17,18)