5-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[3-(tribromomethylsulfonyl)benzoyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[3-(tribromomethylsulfonyl)benzoyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[3-(tribromomethylsulfonyl)benzoyl]amino]isophthalic acid Formula: C16H10Br3NO7S MolecularWeight: 600.0301

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)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H10Br3NO7S/c17-16(18,19)28(26,27)12-3-1-2-8(7-12)13(21)20-11-5-9(14(22)23)4-10(6-11)15(24)25/h1-7H,(H,20,21)(H,22,23)(H,24,25)