benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride

Systemtic Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Openeye Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride CAS Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride IUPAC Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Traditional Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Formula: C28H33Cl2OTi-2 MolecularWeight: 504.33402

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=CC=CC=C1O.[CH-]1C=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Ti+3]

Isomeric SMILES

C.CC(C)(C)C1=CC=CC=C1O.[CH-]1C=CC=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Cl-].[Cl-].[Ti+3]

InChI

InChI=1S/C10H14O.2C6H5.C5H5.CH4.2ClH.Ti/c1-10(2,3)8-6-4-5-7-9(8)11;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h4-7,11H,1-3H3;2*1-5H;1-5H;1H4;2*1H;/q;3*-1;;;;+3/p-2