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

Systemtic Name: 5-methyl-2-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 5-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 2-(1,3-dioxobutylamino)-5-methylbenzenesulfonic acid IUPAC Name: 5-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 2-(acetoacetylamino)-5-methyl-besylic acid Formula: C11H13NO5S MolecularWeight: 271.28962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CC(=O)C)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CC(=O)C)S(=O)(=O)O

InChI

InChI=1S/C11H13NO5S/c1-7-3-4-9(10(5-7)18(15,16)17)12-11(14)6-8(2)13/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16,17)