sodium 4-[[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]methyl]benzoate

Systemtic Name: sodium 4-[[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]methyl]benzoate Openeye Name: sodium 4-[[[3-(tribromomethylsulfonyl)benzoyl]amino]methyl]benzoate CAS Name: sodium 4-[[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]methyl]benzoate IUPAC Name: sodium 4-[[[3-(tribromomethylsulfonyl)benzoyl]amino]methyl]benzoate Traditional Name: sodium 4-[[[3-(tribromomethylsulfonyl)benzoyl]amino]methyl]benzoate Formula: C16H11Br3NNaO5S MolecularWeight: 592.02901

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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-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)C(Br)(Br)Br)C(=O)NCC2=CC=C(C=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C16H12Br3NO5S.Na/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);/q;+1/p-1