2-[2,3-bis(bromanyl)propanoylamino]benzenesulfonic acid

Systemtic Name: 2-[2,3-bis(bromanyl)propanoylamino]benzenesulfonic acid Openeye Name: 2-(2,3-dibromopropanoylamino)benzenesulfonic acid CAS Name: 2-[(2,3-dibromo-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 2-(2,3-dibromopropanoylamino)benzenesulfonic acid Traditional Name: 2-(2,3-dibromopropanoylamino)besylic acid Formula: C9H9Br2NO4S MolecularWeight: 387.04506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(CBr)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C(CBr)Br)S(=O)(=O)O

InChI

InChI=1S/C9H9Br2NO4S/c10-5-6(11)9(13)12-7-3-1-2-4-8(7)17(14,15)16/h1-4,6H,5H2,(H,12,13)(H,14,15,16)