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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Openeye Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide CAS Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide IUPAC Name: 2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Traditional Name: 2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; titanium(3+); diphenoxide Formula: C29H35O3Ti MolecularWeight: 479.4534

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O.2C6H6O.C5H5.CH4.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;2*7-6-4-2-1-3-5-6;1-2-4-5-3-1;;/h5-7,12H,1-4H3;2*1-5,7H;1-5H;1H4;/q;;;-1;;+3/p-2