2-(hydroxymethyl)-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 2-(hydroxymethyl)-5-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2-(hydroxymethyl)-5-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 5-(1,3-dioxobutylamino)-2-(hydroxymethyl)benzenesulfonic acid IUPAC Name: 2-(hydroxymethyl)-5-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 5-(acetoacetylamino)-2-methylol-besylic acid Formula: C11H13NO6S MolecularWeight: 287.28902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO6S/c1-7(14)4-11(15)12-9-3-2-8(6-13)10(5-9)19(16,17)18/h2-3,5,13H,4,6H2,1H3,(H,12,15)(H,16,17,18)