[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 3-ethanoylbenzenesulfonate

Systemtic Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 3-ethanoylbenzenesulfonate Openeye Name: [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] 3-acetylbenzenesulfonate CAS Name: 3-acetylbenzenesulfonic acid [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] ester IUPAC Name: [4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl] 3-acetylbenzenesulfonate Traditional Name: 3-acetylbenzenesulfonic acid [4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenyl] ester Formula: C20H14F3NO5S MolecularWeight: 437.38907

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)OC2=CC=C(C=C2)OC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H14F3NO5S/c1-13(25)14-3-2-4-18(11-14)30(26,27)29-17-8-6-16(7-9-17)28-19-10-5-15(12-24-19)20(21,22)23/h2-12H,1H3