aluminum 3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]benzoate

Systemtic Name: aluminum 3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]benzoate Openeye Name: aluminum 2-tert-butoxy-3-tert-butyl-benzoate CAS Name: aluminum 3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]benzoate IUPAC Name: aluminum 3-tert-butyl-2-[(2-methylpropan-2-yl)oxy]benzoate Traditional Name: aluminum 2-tert-butoxy-3-tert-butyl-benzoate Formula: C45H63AlO9 MolecularWeight: 774.957858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1OC(C)(C)C)C(=O)[O-].CC(C)(C)C1=CC=CC(=C1OC(C)(C)C)C(=O)[O-].CC(C)(C)C1=CC=CC(=C1OC(C)(C)C)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1OC(C)(C)C)C(=O)[O-].CC(C)(C)C1=CC=CC(=C1OC(C)(C)C)C(=O)[O-].CC(C)(C)C1=CC=CC(=C1OC(C)(C)C)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C15H22O3.Al/c3*1-14(2,3)11-9-7-8-10(13(16)17)12(11)18-15(4,5)6;/h3*7-9H,1-6H3,(H,16,17);/q;;;+3/p-3