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

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

Systemtic Name:2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+)
Openeye Name:2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+)
CAS Name:2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+)
IUPAC Name:2-tert-butyl-4-methylphenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+)
Traditional Name:2-tert-butyl-4-methyl-phenol; cyclopenta-1,3-diene; methane; methanolate; titanium(3+)
Formula: C19H31O3Ti
MolecularWeight: 355.31464
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

C.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.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;/q;3*-1;;+3


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