cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium; dibromide

Systemtic Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium; dibromide Openeye Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium; dibromide CAS Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methylphenol; titanium; dibromide IUPAC Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methylphenol; titanium; dibromide Traditional Name: cyclopenta-1,3-diene; 2,6-ditert-butyl-4-methyl-phenol; titanium; dibromide Formula: C20H29Br2OTi-3 MolecularWeight: 493.11866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1C=CC=[C-]1.[Ti].[Br-].[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C.C1C=CC=[C-]1.[Ti].[Br-].[Br-]

InChI

InChI=1S/C15H24O.C5H5.2BrH.Ti/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7;1-2-4-5-3-1;;;/h8-9,16H,1-7H3;1-3H,4H2;2*1H;/q;-1;;;/p-2