aluminum 1,4-ditert-butyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: aluminum 1,4-ditert-butyl-6-oxidanyl-cyclohexa-2,4-diene-1-carboxylate Openeye Name: aluminum 1,4-ditert-butyl-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate CAS Name: aluminum 1,4-ditert-butyl-6-hydroxy-1-cyclohexa-2,4-dienecarboxylate IUPAC Name: aluminum 1,4-ditert-butyl-6-hydroxycyclohexa-2,4-diene-1-carboxylate Traditional Name: aluminum 1,4-ditert-butyl-6-hydroxy-cyclohexa-2,4-diene-1-carboxylate Formula: C45H69AlO9 MolecularWeight: 781.005498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C15H24O3.Al/c3*1-13(2,3)10-7-8-15(12(17)18,11(16)9-10)14(4,5)6;/h3*7-9,11,16H,1-6H3,(H,17,18);/q;;;+3/p-3