aluminum 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxybenzoate

Systemtic Name: aluminum 4-(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyloxybenzoate Openeye Name: aluminum 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxybenzoate CAS Name: aluminum 4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethoxy]benzoate IUPAC Name: aluminum 4-(3,5-ditert-butyl-4-hydroxybenzoyl)oxybenzoate Traditional Name: aluminum 4-(3,5-ditert-butyl-4-hydroxy-benzoyl)oxybenzoate Formula: C66H75AlO15 MolecularWeight: 1135.274238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)[O-].CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2=CC=C(C=C2)C(=O)[O-].[Al+3]

InChI

InChI=1S/3C22H26O5.Al/c3*1-21(2,3)16-11-14(12-17(18(16)23)22(4,5)6)20(26)27-15-9-7-13(8-10-15)19(24)25;/h3*7-12,23H,1-6H3,(H,24,25);/q;;;+3/p-3