2-[[bis[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenol; titanium; tris(fluoranyl)methanesulfonic acid

Systemtic Name: 2-[[bis[(3,5-dimethyl-2-oxidanyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenol; titanium; tris(fluoranyl)methanesulfonic acid Openeye Name: 2-[[bis[(2-hydroxy-3,5-dimethyl-phenyl)methyl]amino]methyl]-4,6-dimethyl-phenol; titanium; trifluoromethanesulfonic acid CAS Name: 2-[[bis[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-4,6-dimethylphenol; titanium; trifluoromethanesulfonic acid IUPAC Name: 2-[[bis[(2-hydroxy-3,5-dimethylphenyl)methyl]amino]methyl]-4,6-dimethylphenol; titanium; trifluoromethanesulfonic acid Traditional Name: 2-[[bis(2-hydroxy-3,5-dimethyl-benzyl)amino]methyl]-4,6-dimethyl-phenol; titanium; triflic acid Formula: C28H34F3NO6STi MolecularWeight: 617.49987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN(CC2=CC(=CC(=C2O)C)C)CC3=CC(=CC(=C3O)C)C)O)C.C(F)(F)(F)S(=O)(=O)O.[Ti]

Isomeric SMILES

CC1=CC(=C(C(=C1)CN(CC2=CC(=CC(=C2O)C)C)CC3=CC(=CC(=C3O)C)C)O)C.C(F)(F)(F)S(=O)(=O)O.[Ti]

InChI

InChI=1S/C27H33NO3.CHF3O3S.Ti/c1-16-7-19(4)25(29)22(10-16)13-28(14-23-11-17(2)8-20(5)26(23)30)15-24-12-18(3)9-21(6)27(24)31;2-1(3,4)8(5,6)7;/h7-12,29-31H,13-15H2,1-6H3;(H,5,6,7);