(4-nitro-2-thiophen-2-yl-phenyl) 2-chloranylbenzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 2-chloranylbenzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C16H10ClNO5S2 MolecularWeight: 395.8373

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClNO5S2/c17-13-4-1-2-6-16(13)25(21,22)23-14-8-7-11(18(19)20)10-12(14)15-5-3-9-24-15/h1-10H