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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCS(=O)(=O)CCC(=O)CBr

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CCS(=O)(=O)CCC(=O)CBr

InChI

InChI=1S/C13H14BrNO7S/c14-9-11(16)5-7-23(20,21)8-6-13(17)22-12-3-1-10(2-4-12)15(18)19/h1-4H,5-9H2