[5-(trifluoromethyl)pyridin-2-yl] 4-nitrobenzenesulfonate

Systemtic Name: [5-(trifluoromethyl)pyridin-2-yl] 4-nitrobenzenesulfonate Openeye Name: [5-(trifluoromethyl)-2-pyridyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: [5-(trifluoromethyl)pyridin-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [5-(trifluoromethyl)-2-pyridyl] ester Formula: C12H7F3N2O5S MolecularWeight: 348.25459

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7F3N2O5S/c13-12(14,15)8-1-6-11(16-7-8)22-23(20,21)10-4-2-9(3-5-10)17(18)19/h1-7H