2-tert-butyl-4-methoxy-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+); dichloride

Systemtic Name: 2-tert-butyl-4-methoxy-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+); dichloride Openeye Name: 2-tert-butyl-4-methoxy-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+); dichloride CAS Name: 2-tert-butyl-4-methoxyphenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+); dichloride IUPAC Name: 2-tert-butyl-4-methoxyphenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+); dichloride Traditional Name: 2-tert-butyl-4-methoxy-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium(3+); dichloride Formula: C20H29Cl2O2Ti MolecularWeight: 420.21606

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Descriptors Computed from Structure

Canonical SMILES:

CC1[C-]=C(C(=C1C)C)C.CC(C)(C)C1=C(C=CC(=C1)OC)O.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC1[C-]=C(C(=C1C)C)C.CC(C)(C)C1=C(C=CC(=C1)OC)O.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C11H16O2.C9H13.2ClH.Ti/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-6-5-7(2)9(4)8(6)3;;;/h5-7,12H,1-4H3;6H,1-4H3;2*1H;/q;-1;;;+3/p-2