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

Systemtic Name: 2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) Openeye Name: 2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) CAS Name: 2-tert-butyl-4-methylphenol; carbanide; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) IUPAC Name: 2-tert-butyl-4-methylphenol; carbanide; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) Traditional Name: 2-tert-butyl-4-methyl-phenol; carbanide; cyclopenta-1,3-diene; methane; methanolate; titanium(3+) Formula: C21H37O3Ti-2 MolecularWeight: 385.38368

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Descriptors Computed from Structure

Canonical SMILES:

C.[CH3-].[CH3-].CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].[CH-]1C=CC=C1.[Ti+3]

Isomeric SMILES

C.[CH3-].[CH3-].CC1=CC(=C(C=C1)O)C(C)(C)C.C[O-].C[O-].[CH-]1C=CC=C1.[Ti+3]

InChI

InChI=1S/C11H16O.C5H5.2CH3O.CH4.2CH3.Ti/c1-8-5-6-10(12)9(7-8)11(2,3)4;1-2-4-5-3-1;2*1-2;;;;/h5-7,12H,1-4H3;1-5H;2*1H3;1H4;2*1H3;/q;3*-1;;2*-1;+3