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

Systemtic Name: 3-oxidanyl-4-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 3-hydroxy-4-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 3-hydroxy-4-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-4-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 3-hydroxy-4-[[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)NCC(CC(=O)O)O

Isomeric SMILES

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

InChI

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