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

Systemtic Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] ester IUPAC Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] ester Formula: C18H11F3N2O6S MolecularWeight: 440.34995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H11F3N2O6S/c19-18(20,21)12-5-10-17(22-11-12)28-13-6-8-14(9-7-13)29-30(26,27)16-4-2-1-3-15(16)23(24)25/h1-11H