3-tert-butyl-5-methoxy-phenol; (diphenylmethylidene)titanium(1+); 2-methylcyclopenta-1,3-diene; dichloride

Systemtic Name: 3-tert-butyl-5-methoxy-phenol; (diphenylmethylidene)titanium(1+); 2-methylcyclopenta-1,3-diene; dichloride Openeye Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methoxy-phenol; 2-methylcyclopenta-1,3-diene; dichloride CAS Name: 3-tert-butyl-5-methoxyphenol; (diphenylmethylene)titanium(1+); 2-methylcyclopenta-1,3-diene; dichloride IUPAC Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methoxyphenol; 2-methylcyclopenta-1,3-diene; dichloride Traditional Name: benzhydrylidenetitanium(1+); 3-tert-butyl-5-methoxy-phenol; 2-methylcyclopenta-1,3-diene; dichloride Formula: C30H33Cl2O2Ti-2 MolecularWeight: 544.35482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10.C11H16O2.C6H7.2ClH.Ti/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-11(2,3)8-5-9(12)7-10(6-8)13-4;1-6-4-2-3-5-6;;;/h1-10H;5-7,12H,1-4H3;2,4H,3H2,1H3;2*1H;/q;;-1;;;+1/p-2