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

Systemtic Name: 3-oxidanyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butyric acid Formula: C12H12Br3NO6S MolecularWeight: 538.00378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Br3NO6S/c1-6(17)9(11(19)20)16-10(18)7-3-2-4-8(5-7)23(21,22)12(13,14)15/h2-6,9,17H,1H3,(H,16,18)(H,19,20)