2-tert-butyl-4-methoxy-phenol; (diphenylmethylidene)titanium(1+); 9H-fluoren-9-ide; dichloride

Systemtic Name: 2-tert-butyl-4-methoxy-phenol; (diphenylmethylidene)titanium(1+); 9H-fluoren-9-ide; dichloride Openeye Name: benzhydrylidenetitanium(1+); 2-tert-butyl-4-methoxy-phenol; 9H-fluoren-9-ide; dichloride CAS Name: 2-tert-butyl-4-methoxyphenol; (diphenylmethylene)titanium(1+); 9H-fluoren-9-ide; dichloride IUPAC Name: benzhydrylidenetitanium(1+); 2-tert-butyl-4-methoxyphenol; 9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenetitanium(1+); 2-tert-butyl-4-methoxy-phenol; 9H-fluoren-9-ide; dichloride Formula: C37H35Cl2O2Ti-2 MolecularWeight: 630.4456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)O.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)O.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C13H10.C11H16O2.2ClH.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;1-11(2,3)9-7-8(13-4)5-6-10(9)12;;;/h1-9H;1-10H;5-7,12H,1-4H3;2*1H;/q-1;;;;;+1/p-2