(4-nitro-2-thiophen-2-yl-phenyl) 5-fluoranyl-2-methyl-benzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 5-fluoranyl-2-methyl-benzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 5-fluoro-2-methyl-benzenesulfonate CAS Name: 5-fluoro-2-methylbenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 5-fluoro-2-methylbenzenesulfonate Traditional Name: 5-fluoro-2-methyl-benzenesulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C17H12FNO5S2 MolecularWeight: 393.409283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H12FNO5S2/c1-11-4-5-12(18)9-17(11)26(22,23)24-15-7-6-13(19(20)21)10-14(15)16-3-2-8-25-16/h2-10H,1H3