(4-pyridin-2-yloxyphenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (4-pyridin-2-yloxyphenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-(2-pyridyloxy)phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-(2-pyridinyloxy)phenyl] ester IUPAC Name: (4-pyridin-2-yloxyphenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-(2-pyridyloxy)phenyl] ester Formula: C18H14N2O6S MolecularWeight: 386.37856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O6S/c1-13-5-10-16(12-17(13)20(21)22)27(23,24)26-15-8-6-14(7-9-15)25-18-4-2-3-11-19-18/h2-12H,1H3