4-[2,2,2-tris(bromanyl)ethanoylamino]benzenesulfonic acid

Systemtic Name: 4-[2,2,2-tris(bromanyl)ethanoylamino]benzenesulfonic acid Openeye Name: 4-[(2,2,2-tribromoacetyl)amino]benzenesulfonic acid CAS Name: 4-[(2,2,2-tribromo-1-oxoethyl)amino]benzenesulfonic acid IUPAC Name: 4-[(2,2,2-tribromoacetyl)amino]benzenesulfonic acid Traditional Name: 4-[(2,2,2-tribromoacetyl)amino]besylic acid Formula: C8H6Br3NO4S MolecularWeight: 451.91454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(Br)(Br)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(Br)(Br)Br)S(=O)(=O)O

InChI

InChI=1S/C8H6Br3NO4S/c9-8(10,11)7(13)12-5-1-3-6(4-2-5)17(14,15)16/h1-4H,(H,12,13)(H,14,15,16)