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

Systemtic Name: 2-tert-butyl-4-methoxy-phenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Openeye Name: 2-tert-butyl-4-methoxy-phenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride CAS Name: 2-tert-butyl-4-methoxyphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride IUPAC Name: 2-tert-butyl-4-methoxyphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Traditional Name: 2-tert-butyl-4-methoxy-phenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Formula: C17H25Cl2O2Ti MolecularWeight: 380.1522

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=C(C=CC(=C1)OC)O.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C.CC(C)(C)C1=C(C=CC(=C1)OC)O.[CH-]1C=CC=C1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C11H16O2.C5H5.CH4.2ClH.Ti/c1-11(2,3)9-7-8(13-4)5-6-10(9)12;1-2-4-5-3-1;;;;/h5-7,12H,1-4H3;1-5H;1H4;2*1H;/q;-1;;;;+3/p-2