[6-tert-butyl-3-cyano-4-(4-phenoxyphenyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [6-tert-butyl-3-cyano-4-(4-phenoxyphenyl)pyridin-2-yl] tris(fluoranyl)methanesulfonate Openeye Name: [6-tert-butyl-3-cyano-4-(4-phenoxyphenyl)-2-pyridyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [6-tert-butyl-3-cyano-4-(4-phenoxyphenyl)-2-pyridinyl] ester IUPAC Name: [6-tert-butyl-3-cyano-4-(4-phenoxyphenyl)pyridin-2-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [6-tert-butyl-3-cyano-4-(4-phenoxyphenyl)-2-pyridyl] ester Formula: C23H19F3N2O4S MolecularWeight: 476.46817

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)C#N)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=NC(=C(C(=C1)C2=CC=C(C=C2)OC3=CC=CC=C3)C#N)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C23H19F3N2O4S/c1-22(2,3)20-13-18(19(14-27)21(28-20)32-33(29,30)23(24,25)26)15-9-11-17(12-10-15)31-16-7-5-4-6-8-16/h4-13H,1-3H3