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

Systemtic Name: 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]glutaric acid Formula: C13H12Br3NO7S MolecularWeight: 566.01388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Br3NO7S/c14-13(15,16)25(23,24)8-3-1-2-7(6-8)11(20)17-9(12(21)22)4-5-10(18)19/h1-3,6,9H,4-5H2,(H,17,20)(H,18,19)(H,21,22)