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4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; methane; methanolate; titanium(2+)
4-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2,3-dimethyl-phenol; methane; methanolate; titanium(2+)
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Canonical SMILES:
C.CC1=C(C=CC(=C1C)O)C2=CC(=CC2)C(C)(C)C.C[O-].C[O-].[Ti+2]
Isomeric SMILES
C.CC1=C(C=CC(=C1C)O)C2=CC(=CC2)C(C)(C)C.C[O-].C[O-].[Ti+2]
InChI
InChI=1S/C17H22O.2CH3O.CH4.Ti/c1-11-12(2)16(18)9-8-15(11)13-6-7-14(10-13)17(3,4)5;2*1-2;;/h7-10,18H,6H2,1-5H3;2*1H3;1H4;/q;2*-1;;+2
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- benzene; cyclopenta-1,3-diene; 2,3-dimethylphenol; methane; titanium(3+); diphenoxide
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