2-tert-butyl-4-chloranyl-phenol; cyclopenta-1,3-diene; (diphenylmethylidene)titanium(1+); dichloride

Systemtic Name: 2-tert-butyl-4-chloranyl-phenol; cyclopenta-1,3-diene; (diphenylmethylidene)titanium(1+); dichloride Openeye Name: benzhydrylidenetitanium(1+); 2-tert-butyl-4-chloro-phenol; cyclopenta-1,3-diene; dichloride CAS Name: 2-tert-butyl-4-chlorophenol; cyclopenta-1,3-diene; (diphenylmethylene)titanium(1+); dichloride IUPAC Name: benzhydrylidenetitanium(1+); 2-tert-butyl-4-chlorophenol; cyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenetitanium(1+); 2-tert-butyl-4-chloro-phenol; cyclopenta-1,3-diene; dichloride Formula: C28H28Cl3OTi-2 MolecularWeight: 534.74732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Cl)O.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Cl)O.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H10.C10H13ClO.C5H5.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-10(2,3)8-6-7(11)4-5-9(8)12;1-2-4-5-3-1;;;/h1-10H;4-6,12H,1-3H3;1-3H,4H2;2*1H;/q;;-1;;;+1/p-2