2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide

Systemtic Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide Openeye Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide CAS Name: 2-tert-butyl-4-(3-methyl-1-cyclopenta-1,3-dienyl)phenol; methane; titanium(2+); diphenoxide IUPAC Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide Traditional Name: 2-tert-butyl-4-(3-methylcyclopenta-1,3-dien-1-yl)phenol; methane; titanium(2+); diphenoxide Formula: C29H34O3Ti MolecularWeight: 478.44546

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Descriptors Computed from Structure

Canonical SMILES:

C.CC1=CCC(=C1)C2=CC(=C(C=C2)O)C(C)(C)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

Isomeric SMILES

C.CC1=CCC(=C1)C2=CC(=C(C=C2)O)C(C)(C)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+2]

InChI

InChI=1S/C16H20O.2C6H6O.CH4.Ti/c1-11-5-6-12(9-11)13-7-8-15(17)14(10-13)16(2,3)4;2*7-6-4-2-1-3-5-6;;/h5,7-10,17H,6H2,1-4H3;2*1-5,7H;1H4;/q;;;;+2/p-2