3-tert-butylphenol; cyclopenta-1,3-diene; (diphenylmethylidene)titanium(1+); dichloride

Systemtic Name: 3-tert-butylphenol; cyclopenta-1,3-diene; (diphenylmethylidene)titanium(1+); dichloride Openeye Name: benzhydrylidenetitanium(1+); 3-tert-butylphenol; cyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butylphenol; cyclopenta-1,3-diene; (diphenylmethylene)titanium(1+); dichloride IUPAC Name: benzhydrylidenetitanium(1+); 3-tert-butylphenol; cyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenetitanium(1+); 3-tert-butylphenol; cyclopenta-1,3-diene; dichloride Formula: C28H29Cl2OTi-2 MolecularWeight: 500.30226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10.C10H14O.C5H5.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-10(2,3)8-5-4-6-9(11)7-8;1-2-4-5-3-1;;;/h1-10H;4-7,11H,1-3H3;1-3H,4H2;2*1H;/q;;-1;;;+1/p-2