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

Systemtic Name: 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]hexanedioic acid Openeye Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]hexanedioic acid CAS Name: 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]hexanedioic acid IUPAC Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]hexanedioic acid Traditional Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]adipic acid Formula: C14H14Br3NO7S MolecularWeight: 580.04046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14Br3NO7S/c15-14(16,17)26(24,25)9-4-1-3-8(7-9)12(21)18-10(13(22)23)5-2-6-11(19)20/h1,3-4,7,10H,2,5-6H2,(H,18,21)(H,19,20)(H,22,23)