3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; (diphenylmethylidene)titanium(1+); dichloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; (diphenylmethylidene)titanium(1+); dichloride Openeye Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; (diphenylmethylene)titanium(1+); dichloride IUPAC Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methylphenol; cyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methyl-phenol; cyclopenta-1,3-diene; dichloride Formula: C29H31Cl2OTi-2 MolecularWeight: 514.32884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)O)C(C)(C)C.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=CC(=C1)O)C(C)(C)C.C1C=CC=[C-]1.C1=CC=C(C=C1)C(=[Ti+])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H10.C11H16O.C5H5.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-8-5-9(11(2,3)4)7-10(12)6-8;1-2-4-5-3-1;;;/h1-10H;5-7,12H,1-4H3;1-3H,4H2;2*1H;/q;;-1;;;+1/p-2