2,6-di(propan-2-yl)phenolate; phenoxyaluminum(2+)

Systemtic Name: 2,6-di(propan-2-yl)phenolate; phenoxyaluminum(2+) Openeye Name: 2,6-diisopropylphenolate; phenoxyaluminum(2+) CAS Name: 2,6-di(propan-2-yl)phenolate; phenoxyaluminum(2+) IUPAC Name: 2,6-di(propan-2-yl)phenolate; phenoxyaluminum(2+) Traditional Name: 2,6-diisopropylphenolate; phenoxyaluminum(2+) Formula: C30H39AlO3 MolecularWeight: 474.610398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)[O-].CC(C)C1=C(C(=CC=C1)C(C)C)[O-].C1=CC=C(C=C1)O[Al+2]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)[O-].CC(C)C1=C(C(=CC=C1)C(C)C)[O-].C1=CC=C(C=C1)O[Al+2]

InChI

InChI=1S/2C12H18O.C6H6O.Al/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-6-4-2-1-3-5-6;/h2*5-9,13H,1-4H3;1-5,7H;/q;;;+3/p-3