aluminum 2,3-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: aluminum 2,3-ditert-butyl-4-oxidanyl-benzoate Openeye Name: aluminum 2,3-ditert-butyl-4-hydroxy-benzoate CAS Name: aluminum 2,3-ditert-butyl-4-hydroxybenzoate IUPAC Name: aluminum 2,3-ditert-butyl-4-hydroxybenzoate Traditional Name: aluminum 2,3-ditert-butyl-4-hydroxy-benzoate Formula: C45H63AlO9 MolecularWeight: 774.957858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)C(=O)[O-].CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)C(=O)[O-].CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)C(=O)[O-].CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)C(=O)[O-].CC(C)(C)C1=C(C=CC(=C1C(C)(C)C)O)C(=O)[O-].[Al+3]

InChI

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