4-methylsulfanyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[3-(tribromomethylsulfonyl)benzoyl]amino]butyric acid Formula: C13H14Br3NO5S2 MolecularWeight: 568.09596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14Br3NO5S2/c1-23-6-5-10(12(19)20)17-11(18)8-3-2-4-9(7-8)24(21,22)13(14,15)16/h2-4,7,10H,5-6H2,1H3,(H,17,18)(H,19,20)