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

Systemtic Name: 3-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 3-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 3-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 3-[[3-(tribromomethylsulfonyl)benzoyl]amino]butyric acid Formula: C12H12Br3NO5S MolecularWeight: 522.00438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Br3NO5S/c1-7(5-10(17)18)16-11(19)8-3-2-4-9(6-8)22(20,21)12(13,14)15/h2-4,6-7H,5H2,1H3,(H,16,19)(H,17,18)