(3-oxidanylidenebutanoylamino)methanesulfonic acid

Systemtic Name: (3-oxidanylidenebutanoylamino)methanesulfonic acid Openeye Name: (3-oxobutanoylamino)methanesulfonic acid CAS Name: (1,3-dioxobutylamino)methanesulfonic acid IUPAC Name: (3-oxobutanoylamino)methanesulfonic acid Traditional Name: (acetoacetylamino)methanesulfonic acid Formula: C5H9NO5S MolecularWeight: 195.19366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NCS(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=O)NCS(=O)(=O)O

InChI

InChI=1S/C5H9NO5S/c1-4(7)2-5(8)6-3-12(9,10)11/h2-3H2,1H3,(H,6,8)(H,9,10,11)