5-chloranyl-4-methyl-2-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-methyl-2-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 5-chloro-4-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 5-chloro-2-(1,3-dioxobutylamino)-4-methylbenzenesulfonic acid IUPAC Name: 5-chloro-4-methyl-2-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 2-(acetoacetylamino)-5-chloro-4-methyl-besylic acid Formula: C11H12ClNO5S MolecularWeight: 305.73468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)CC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)CC(=O)C

InChI

InChI=1S/C11H12ClNO5S/c1-6-3-9(13-11(15)4-7(2)14)10(5-8(6)12)19(16,17)18/h3,5H,4H2,1-2H3,(H,13,15)(H,16,17,18)