benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butylphenol; methane; methanolate; titanium(2+)

Systemtic Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butylphenol; methane; methanolate; titanium(2+) Openeye Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butylphenol; methane; methanolate; titanium(2+) CAS Name: benzene; (3-tert-butyl-1-cyclopenta-1,3-dienyl)benzene; 2-tert-butylphenol; methane; methanolate; titanium(2+) IUPAC Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butylphenol; methane; methanolate; titanium(2+) Traditional Name: benzene; (3-tert-butylcyclopenta-1,3-dien-1-yl)benzene; 2-tert-butylphenol; methane; methanolate; titanium(2+) Formula: C34H46O3Ti-2 MolecularWeight: 550.59424

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(C)(C)C1=CCC(=C1)C2=C[C-]=CC=C2.CC(C)(C)C1=CC=CC=C1O.C[O-].C[O-].C1=CC=[C-]C=C1.[Ti+2]

Isomeric SMILES

C.CC(C)(C)C1=CCC(=C1)C2=C[C-]=CC=C2.CC(C)(C)C1=CC=CC=C1O.C[O-].C[O-].C1=CC=[C-]C=C1.[Ti+2]

InChI

InChI=1S/C15H17.C10H14O.C6H5.2CH3O.CH4.Ti/c1-15(2,3)14-10-9-13(11-14)12-7-5-4-6-8-12;1-10(2,3)8-6-4-5-7-9(8)11;1-2-4-6-5-3-1;2*1-2;;/h4-5,7-8,10-11H,9H2,1-3H3;4-7,11H,1-3H3;1-5H;2*1H3;1H4;/q-1;;3*-1;;+2