(2-fluoranyl-2,2-dinitro-ethyl) 3-bromanyl-4-methoxy-benzenesulfonate

Systemtic Name: (2-fluoranyl-2,2-dinitro-ethyl) 3-bromanyl-4-methoxy-benzenesulfonate Openeye Name: (2-fluoro-2,2-dinitro-ethyl) 3-bromo-4-methoxy-benzenesulfonate CAS Name: 3-bromo-4-methoxybenzenesulfonic acid (2-fluoro-2,2-dinitroethyl) ester IUPAC Name: (2-fluoro-2,2-dinitroethyl) 3-bromo-4-methoxybenzenesulfonate Traditional Name: 3-bromo-4-methoxy-benzenesulfonic acid (2-fluoro-2,2-dinitro-ethyl) ester Formula: C9H8BrFN2O8S MolecularWeight: 403.135823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)Br

InChI

InChI=1S/C9H8BrFN2O8S/c1-20-8-3-2-6(4-7(8)10)22(18,19)21-5-9(11,12(14)15)13(16)17/h2-4H,5H2,1H3