2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid CAS Name: 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid Traditional Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]propionic acid Formula: C11H10Br3NO5S MolecularWeight: 507.9778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Br3NO5S/c1-6(10(17)18)15-9(16)7-3-2-4-8(5-7)21(19,20)11(12,13)14/h2-6H,1H3,(H,15,16)(H,17,18)