4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine; gold(1+); tris(fluoranyl)methanesulfonate

Systemtic Name: 4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine; gold(1+); tris(fluoranyl)methanesulfonate Openeye Name: 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridyl)pyridine; gold(1+); trifluoromethanesulfonate CAS Name: 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine; gold(1+); trifluoromethanesulfonate IUPAC Name: 4-tert-butyl-2,6-bis(4-tert-butylpyridin-2-yl)pyridine; gold(1+); trifluoromethanesulfonate Traditional Name: 4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridyl)pyridine; gold(1+); triflate Formula: C28H35AuF3N3O3S MolecularWeight: 747.62256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Au+]

Isomeric SMILES

CC(C)(C)C1=CC(=NC=C1)C2=CC(=CC(=N2)C3=NC=CC(=C3)C(C)(C)C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-].[Au+]

InChI

InChI=1S/C27H35N3.CHF3O3S.Au/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6;2-1(3,4)8(5,6)7;/h10-17H,1-9H3;(H,5,6,7);/q;;+1/p-1