4-(3-oxidanylidenebutanethioylamino)benzenesulfonic acid

Systemtic Name: 4-(3-oxidanylidenebutanethioylamino)benzenesulfonic acid Openeye Name: 4-(3-oxobutanethioylamino)benzenesulfonic acid CAS Name: 4-[(3-oxo-1-sulfanylidenebutyl)amino]benzenesulfonic acid IUPAC Name: 4-(3-oxobutanethioylamino)benzenesulfonic acid Traditional Name: 4-(3-ketobutanethioylamino)besylic acid Formula: C10H11NO4S2 MolecularWeight: 273.32864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=S)NC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC(=O)CC(=S)NC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H11NO4S2/c1-7(12)6-10(16)11-8-2-4-9(5-3-8)17(13,14)15/h2-5H,6H2,1H3,(H,11,16)(H,13,14,15)