3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; (diphenylmethylidene)titanium(1+); dichloride

Systemtic Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; (diphenylmethylidene)titanium(1+); dichloride Openeye Name: benzhydrylidenetitanium(1+); 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; dichloride CAS Name: 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; (diphenylmethylene)titanium(1+); dichloride IUPAC Name: benzhydrylidenetitanium(1+); 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; dichloride Traditional Name: benzhydrylidenetitanium(1+); 3-tert-butylphenol; 1,9-dihydrofluoren-1-ide; dichloride Formula: C36H33Cl2OTi-2 MolecularWeight: 600.41962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)O.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)O.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C13H10.C10H14O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-10(2,3)8-5-4-6-9(11)7-8;;;/h1-5,7-8H,9H2;1-10H;4-7,11H,1-3H3;2*1H;/q-1;;;;;+1/p-2