(4-nitro-2-thiophen-2-yl-phenyl) 2-methoxy-5-nitro-benzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 2-methoxy-5-nitro-benzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 2-methoxy-5-nitro-benzenesulfonate CAS Name: 2-methoxy-5-nitrobenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 2-methoxy-5-nitrobenzenesulfonate Traditional Name: 2-methoxy-5-nitro-benzenesulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C17H12N2O8S2 MolecularWeight: 436.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H12N2O8S2/c1-26-15-7-5-12(19(22)23)10-17(15)29(24,25)27-14-6-4-11(18(20)21)9-13(14)16-3-2-8-28-16/h2-10H,1H3