(2-bromanyl-4-fluoranyl-phenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-bromo-4-fluoro-phenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-bromo-4-fluoro-phenyl) ester Formula: C13H9BrFNO5S MolecularWeight: 390.181663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)F)Br

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)F)Br

InChI

InChI=1S/C13H9BrFNO5S/c1-8-2-4-10(16(17)18)7-13(8)22(19,20)21-12-5-3-9(15)6-11(12)14/h2-7H,1H3