2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanedioic acid CAS Name: 2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanedioic acid IUPAC Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanedioic acid Traditional Name: 2-[[3-(tribromomethylsulfonyl)benzoyl]amino]succinic acid Formula: C12H10Br3NO7S MolecularWeight: 551.9873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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