sodium 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]ethanoate

Systemtic Name: sodium 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]ethanoate Openeye Name: sodium 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]acetate CAS Name: sodium 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]acetate IUPAC Name: sodium 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]acetate Traditional Name: sodium 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]acetate Formula: C10H7Br3NNaO5S MolecularWeight: 515.93305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8Br3NO5S.Na/c11-10(12,13)20(18,19)7-3-1-2-6(4-7)9(17)14-5-8(15)16;/h1-4H,5H2,(H,14,17)(H,15,16);/q;+1/p-1