aluminum 2,4-ditert-butylphenolate

Systemtic Name: aluminum 2,4-ditert-butylphenolate Openeye Name: aluminum 2,4-ditert-butylphenolate CAS Name: aluminum 2,4-ditert-butylphenolate IUPAC Name: aluminum 2,4-ditert-butylphenolate Traditional Name: aluminum 2,4-ditert-butylphenolate Formula: C42H63AlO3 MolecularWeight: 642.929358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C14H22O.Al/c3*1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;/h3*7-9,15H,1-6H3;/q;;;+3/p-3