2-[[bis(2-pyridin-2-ylethyl)amino]methyl]-4-tert-butyl-6-methylsulfanyl-phenol; copper(1+); hexafluorophosphate

Systemtic Name: 2-[[bis(2-pyridin-2-ylethyl)amino]methyl]-4-tert-butyl-6-methylsulfanyl-phenol; copper(1+); hexafluorophosphate Openeye Name: cuprous 2-[[bis[2-(2-pyridyl)ethyl]amino]methyl]-4-tert-butyl-6-methylsulfanyl-phenol hexafluorophosphate CAS Name: 2-[[bis[2-(2-pyridinyl)ethyl]amino]methyl]-4-tert-butyl-6-(methylthio)phenol; copper(1+); hexafluorophosphate IUPAC Name: 2-[[bis(2-pyridin-2-ylethyl)amino]methyl]-4-tert-butyl-6-methylsulfanylphenol; copper(1+); hexafluorophosphate Traditional Name: cuprous 2-[[bis[2-(2-pyridyl)ethyl]amino]methyl]-4-tert-butyl-6-(methylthio)phenol hexafluorophosphate Formula: C26H33CuF6N3OPS MolecularWeight: 644.1349

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)SC)O)CN(CCC2=CC=CC=N2)CCC3=CC=CC=N3.F[P-](F)(F)(F)(F)F.[Cu+]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)SC)O)CN(CCC2=CC=CC=N2)CCC3=CC=CC=N3.F[P-](F)(F)(F)(F)F.[Cu+]

InChI

InChI=1S/C26H33N3OS.Cu.F6P/c1-26(2,3)21-17-20(25(30)24(18-21)31-4)19-29(15-11-22-9-5-7-13-27-22)16-12-23-10-6-8-14-28-23;;1-7(2,3,4,5)6/h5-10,13-14,17-18,30H,11-12,15-16,19H2,1-4H3;;/q;+1;-1