2,6-di(propan-2-yl)phenolate; titanium(4+)

Systemtic Name: 2,6-di(propan-2-yl)phenolate; titanium(4+) Openeye Name: 2,6-diisopropylphenolate; titanium(4+) CAS Name: 2,6-di(propan-2-yl)phenolate; titanium(4+) IUPAC Name: 2,6-di(propan-2-yl)phenolate; titanium(4+) Traditional Name: 2,6-diisopropylphenolate; titanium(4+) Formula: C48H68O4Ti MolecularWeight: 756.91812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/4C12H18O.Ti/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;/h4*5-9,13H,1-4H3;/q;;;;+4/p-4