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

Systemtic Name: 3-oxidanyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]pentanoic acid Openeye Name: 3-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid CAS Name: 3-hydroxy-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]pentanoic acid IUPAC Name: 3-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]pentanoic acid Traditional Name: 3-hydroxy-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]valeric acid Formula: C13H14Br3NO6S MolecularWeight: 552.03036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Br3NO6S/c1-2-9(18)10(12(20)21)17-11(19)7-4-3-5-8(6-7)24(22,23)13(14,15)16/h3-6,9-10,18H,2H2,1H3,(H,17,19)(H,20,21)