4-[[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(tribromomethylsulfonyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(tribromomethylsulfonyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(tribromomethylsulfonyl)benzoyl]amino]methyl]benzoic acid Formula: C16H12Br3NO5S MolecularWeight: 570.04718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C16H12Br3NO5S/c17-16(18,19)26(24,25)13-3-1-2-12(8-13)14(21)20-9-10-4-6-11(7-5-10)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)