(4-nitrophenyl) 3-(2-bromanyl-3-oxidanylidene-butyl)sulfonylpropanoate

Systemtic Name: (4-nitrophenyl) 3-(2-bromanyl-3-oxidanylidene-butyl)sulfonylpropanoate Openeye Name: (4-nitrophenyl) 3-(2-bromo-3-oxo-butyl)sulfonylpropanoate CAS Name: 3-(2-bromo-3-oxobutyl)sulfonylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-(2-bromo-3-oxobutyl)sulfonylpropanoate Traditional Name: 3-(2-bromo-3-keto-butyl)sulfonylpropionic acid (4-nitrophenyl) ester Formula: C13H14BrNO7S MolecularWeight: 408.22176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CS(=O)(=O)CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Br

Isomeric SMILES

CC(=O)C(CS(=O)(=O)CCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C13H14BrNO7S/c1-9(16)12(14)8-23(20,21)7-6-13(17)22-11-4-2-10(3-5-11)15(18)19/h2-5,12H,6-8H2,1H3