2-(3-oxidanylidenebutanoylamino)ethanesulfonic acid

Systemtic Name: 2-(3-oxidanylidenebutanoylamino)ethanesulfonic acid Openeye Name: 2-(3-oxobutanoylamino)ethanesulfonic acid CAS Name: 2-(1,3-dioxobutylamino)ethanesulfonic acid IUPAC Name: 2-(3-oxobutanoylamino)ethanesulfonic acid Traditional Name: 2-(acetoacetylamino)ethanesulfonic acid Formula: C6H11NO5S MolecularWeight: 209.22024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NCCS(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C6H11NO5S/c1-5(8)4-6(9)7-2-3-13(10,11)12/h2-4H2,1H3,(H,7,9)(H,10,11,12)