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

Systemtic Name: 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid CAS Name: 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid Traditional Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]valeric acid Formula: C13H14Br3NO5S MolecularWeight: 536.03096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Br3NO5S/c1-2-4-10(12(19)20)17-11(18)8-5-3-6-9(7-8)23(21,22)13(14,15)16/h3,5-7,10H,2,4H2,1H3,(H,17,18)(H,19,20)