2-tert-butyl-6-phenyl-phenol; carbanide; 2,4-ditert-butyl-6-phenyl-phenol; titanium(2+)

Systemtic Name: 2-tert-butyl-6-phenyl-phenol; carbanide; 2,4-ditert-butyl-6-phenyl-phenol; titanium(2+) Openeye Name: 2-tert-butyl-6-phenyl-phenol; carbanide; 2,4-ditert-butyl-6-phenyl-phenol; titanium(2+) CAS Name: 2-tert-butyl-6-phenylphenol; carbanide; 2,4-ditert-butyl-6-phenylphenol; titanium(2+) IUPAC Name: 2-tert-butyl-6-phenylphenol; carbanide; 2,4-ditert-butyl-6-phenylphenol; titanium(2+) Traditional Name: 2-tert-butyl-6-phenyl-phenol; carbanide; 2,4-ditert-butyl-6-phenyl-phenol; titanium(2+) Formula: C38H50O2Ti MolecularWeight: 586.6694

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].[CH3-].CC(C)(C)C1=CC=CC(=C1O)C2=CC=CC=C2.CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)C(C)(C)C.[Ti+2]

Isomeric SMILES

[CH3-].[CH3-].CC(C)(C)C1=CC=CC(=C1O)C2=CC=CC=C2.CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)C(C)(C)C.[Ti+2]

InChI

InChI=1S/C20H26O.C16H18O.2CH3.Ti/c1-19(2,3)15-12-16(14-10-8-7-9-11-14)18(21)17(13-15)20(4,5)6;1-16(2,3)14-11-7-10-13(15(14)17)12-8-5-4-6-9-12;;;/h7-13,21H,1-6H3;4-11,17H,1-3H3;2*1H3;/q;;2*-1;+2