[3,5-ditert-butyl-2-(3-methylpyridin-2-yl)phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [3,5-ditert-butyl-2-(3-methylpyridin-2-yl)phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [3,5-ditert-butyl-2-(3-methyl-2-pyridyl)phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [3,5-ditert-butyl-2-(3-methyl-2-pyridinyl)phenyl] ester IUPAC Name: [3,5-ditert-butyl-2-(3-methylpyridin-2-yl)phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [3,5-ditert-butyl-2-(3-methyl-2-pyridyl)phenyl] ester Formula: C21H26F3NO3S MolecularWeight: 429.49625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2=C(C=C(C=C2OS(=O)(=O)C(F)(F)F)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=C(N=CC=C1)C2=C(C=C(C=C2OS(=O)(=O)C(F)(F)F)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H26F3NO3S/c1-13-9-8-10-25-18(13)17-15(20(5,6)7)11-14(19(2,3)4)12-16(17)28-29(26,27)21(22,23)24/h8-12H,1-7H3