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

Systemtic Name: benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Openeye Name: benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride CAS Name: benzene; 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride IUPAC Name: benzene; 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Traditional Name: benzene; 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); dichloride Formula: C29H35Cl2OTi-2 MolecularWeight: 518.3606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.2C6H5.C5H5.CH4.2ClH.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;2*1-2-4-6-5-3-1;1-2-4-5-3-1;;;;/h5-7,12H,1-4H3;2*1-5H;1-5H;1H4;2*1H;/q;3*-1;;;;+3/p-2