2-[carboxymethyl-[2-[tris(bromanyl)methylsulfonyl]phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[tris(bromanyl)methylsulfonyl]phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-(tribromomethylsulfonyl)benzoyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[oxo-[2-(tribromomethylsulfonyl)phenyl]methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-(tribromomethylsulfonyl)benzoyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-(tribromomethylsulfonyl)benzoyl]amino]acetic acid Formula: C12H10Br3NO7S MolecularWeight: 551.9873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10Br3NO7S/c13-12(14,15)24(22,23)8-4-2-1-3-7(8)11(21)16(5-9(17)18)6-10(19)20/h1-4H,5-6H2,(H,17,18)(H,19,20)