sodium 4-(3-oxidanylidenebutanoylamino)benzenesulfonate

Systemtic Name: sodium 4-(3-oxidanylidenebutanoylamino)benzenesulfonate Openeye Name: sodium 4-(3-oxobutanoylamino)benzenesulfonate CAS Name: sodium 4-(1,3-dioxobutylamino)benzenesulfonate IUPAC Name: sodium 4-(3-oxobutanoylamino)benzenesulfonate Traditional Name: sodium 4-(acetoacetylamino)besylate Formula: C10H10NNaO5S MolecularWeight: 279.24487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO5S.Na/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/p-1