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

Systemtic Name: 4-oxidanyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-hydroxy-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 4-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butyric acid Formula: C12H12Br3NO6S MolecularWeight: 538.00378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Br3NO6S/c13-12(14,15)23(21,22)8-3-1-2-7(6-8)10(18)16-9(4-5-17)11(19)20/h1-3,6,9,17H,4-5H2,(H,16,18)(H,19,20)