aluminum 3,5-ditert-butyl-2-oxidanyl-benzoate

Systemtic Name: aluminum 3,5-ditert-butyl-2-oxidanyl-benzoate Openeye Name: aluminum 3,5-ditert-butyl-2-hydroxy-benzoate CAS Name: aluminum 3,5-ditert-butyl-2-hydroxybenzoate IUPAC Name: aluminum 3,5-ditert-butyl-2-hydroxybenzoate Traditional Name: aluminum 3,5-ditert-butyl-2-hydroxy-benzoate Formula: C45H63AlO9 MolecularWeight: 774.957858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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