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

Systemtic Name: 4-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 4-[[3-(tribromomethylsulfonyl)benzoyl]amino]butyric acid Formula: C12H12Br3NO5S MolecularWeight: 522.00438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12Br3NO5S/c13-12(14,15)22(20,21)9-4-1-3-8(7-9)11(19)16-6-2-5-10(17)18/h1,3-4,7H,2,5-6H2,(H,16,19)(H,17,18)