2,5-bis(chloranyl)-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid

Systemtic Name: 2,5-bis(chloranyl)-4-(3-oxidanylidenebutanoylamino)benzenesulfonic acid Openeye Name: 2,5-dichloro-4-(3-oxobutanoylamino)benzenesulfonic acid CAS Name: 2,5-dichloro-4-(1,3-dioxobutylamino)benzenesulfonic acid IUPAC Name: 2,5-dichloro-4-(3-oxobutanoylamino)benzenesulfonic acid Traditional Name: 4-(acetoacetylamino)-2,5-dichloro-besylic acid Formula: C10H9Cl2NO5S MolecularWeight: 326.15316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=C(C=C1Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C10H9Cl2NO5S/c1-5(14)2-10(15)13-8-3-7(12)9(4-6(8)11)19(16,17)18/h3-4H,2H2,1H3,(H,13,15)(H,16,17,18)