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

Systemtic Name: 3-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[3-(tribromomethylsulfonyl)benzoyl]amino]propanoic acid Traditional Name: 3-[[3-(tribromomethylsulfonyl)benzoyl]amino]propionic acid Formula: C11H10Br3NO5S MolecularWeight: 507.9778

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)NCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H10Br3NO5S/c12-11(13,14)21(19,20)8-3-1-2-7(6-8)10(18)15-5-4-9(16)17/h1-3,6H,4-5H2,(H,15,18)(H,16,17)