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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Br3NO5S/c12-11(13,14)21(19,20)8-4-2-1-3-7(8)10(18)15-6-5-9(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)