4-tert-butylphenolate; titanium(4+)

Systemtic Name: 4-tert-butylphenolate; titanium(4+) Openeye Name: 4-tert-butylphenolate; titanium(4+) CAS Name: 4-tert-butylphenolate; titanium(4+) IUPAC Name: 4-tert-butylphenolate; titanium(4+) Traditional Name: 4-tert-butylphenolate; titanium(4+) Formula: C40H52O4Ti MolecularWeight: 644.70548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)C1=CC=C(C=C1)[O-].[Ti+4]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)C1=CC=C(C=C1)[O-].CC(C)(C)C1=CC=C(C=C1)[O-].[Ti+4]

InChI

InChI=1S/4C10H14O.Ti/c4*1-10(2,3)8-4-6-9(11)7-5-8;/h4*4-7,11H,1-3H3;/q;;;;+4/p-4