3-tert-butyl-5-methyl-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium; chloride

Systemtic Name: 3-tert-butyl-5-methyl-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium; chloride Openeye Name: 3-tert-butyl-5-methyl-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium; chloride CAS Name: 3-tert-butyl-5-methylphenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium; chloride IUPAC Name: 3-tert-butyl-5-methylphenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium; chloride Traditional Name: 3-tert-butyl-5-methyl-phenol; 1,2,3,5-tetramethylcyclopenta-1,3-diene; titanium; chloride Formula: C20H29ClOTi-2 MolecularWeight: 368.76366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.C9H13.ClH.Ti/c1-8-5-9(11(2,3)4)7-10(12)6-8;1-6-5-7(2)9(4)8(6)3;;/h5-7,12H,1-4H3;6H,1-4H3;1H;/q;-1;;/p-1