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

Systemtic Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) Openeye Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) CAS Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) IUPAC Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) Traditional Name: benzene; 2-tert-butylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) Formula: C30H39O3Ti-2 MolecularWeight: 495.49586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.2C6H5.C5H5.2CH3O.CH4.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;2*1-2;;/h4-7,11H,1-3H3;2*1-5H;1-5H;2*1H3;1H4;/q;5*-1;;+3