2,6-diphenylphenol; 5-methanidylidene-2,2,6,6-tetramethyl-hept-3-ene; titanium(2+)

Systemtic Name: 2,6-diphenylphenol; 5-methanidylidene-2,2,6,6-tetramethyl-hept-3-ene; titanium(2+) Openeye Name: 2,6-diphenylphenol; 5-methanidylidene-2,2,6,6-tetramethyl-hept-3-ene; titanium(2+) CAS Name: 2,6-diphenylphenol; 5-methanidylidene-2,2,6,6-tetramethyl-3-heptene; titanium(2+) IUPAC Name: 2,6-diphenylphenol; 5-methanidylidene-2,2,6,6-tetramethylhept-3-ene; titanium(2+) Traditional Name: 2-tert-butyl-5,5-dimethyl-hexa-1,3-diene; 2,6-diphenylphenol; titanium(2+) Formula: C48H48O2Ti MolecularWeight: 704.76052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[C-]=CC(=[CH-])C(C)(C)C.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.[Ti+2]

Isomeric SMILES

CC(C)(C)[C-]=CC(=[CH-])C(C)(C)C.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.C1=CC=C(C=C1)C2=C(C(=CC=C2)C3=CC=CC=C3)O.[Ti+2]

InChI

InChI=1S/2C18H14O.C12H20.Ti/c2*19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15;1-10(12(5,6)7)8-9-11(2,3)4;/h2*1-13,19H;1,8H,2-7H3;/q;;-2;+2