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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=C(C=C(C=C1S(=O)(=O)O)Cl)Cl

Isomeric SMILES

CC(=O)CC(=O)NC1=C(C=C(C=C1S(=O)(=O)O)Cl)Cl

InChI

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