2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; oxolane; titanium(3+); dichloride

Systemtic Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; oxolane; titanium(3+); dichloride Openeye Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; tetrahydrofuran; titanium(3+); dichloride CAS Name: 2-tert-butyl-4-methylphenol; 9H-fluoren-9-ide; oxolane; titanium(3+); dichloride IUPAC Name: 2-tert-butyl-4-methylphenol; 9H-fluoren-9-ide; oxolane; titanium(3+); dichloride Traditional Name: 2-tert-butyl-4-methyl-phenol; 9H-fluoren-9-ide; tetrahydrofuran; titanium(3+); dichloride Formula: C28H33Cl2O2Ti MolecularWeight: 520.33342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(C)(C)C.C1CCOC1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(C)(C)C.C1CCOC1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C13H9.C11H16O.C4H8O.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-4-5-3-1;;;/h1-9H;5-7,12H,1-4H3;1-4H2;2*1H;/q-1;;;;;+3/p-2