2,6-bis(2-methylpropyl)phenolate; butoxyaluminum(2+)

Systemtic Name: 2,6-bis(2-methylpropyl)phenolate; butoxyaluminum(2+) Openeye Name: butoxyaluminum(2+); 2,6-diisobutylphenolate CAS Name: 2,6-bis(2-methylpropyl)phenolate; butoxyaluminum(2+) IUPAC Name: 2,6-bis(2-methylpropyl)phenolate; butoxyaluminum(2+) Traditional Name: butoxyaluminum(2+); 2,6-diisobutylphenolate Formula: C32H51AlO3 MolecularWeight: 510.727078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO[Al+2].CC(C)CC1=C(C(=CC=C1)CC(C)C)[O-].CC(C)CC1=C(C(=CC=C1)CC(C)C)[O-]

Isomeric SMILES

CCCCO[Al+2].CC(C)CC1=C(C(=CC=C1)CC(C)C)[O-].CC(C)CC1=C(C(=CC=C1)CC(C)C)[O-]

InChI

InChI=1S/2C14H22O.C4H9O.Al/c2*1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4;1-2-3-4-5;/h2*5-7,10-11,15H,8-9H2,1-4H3;2-4H2,1H3;/q;;-1;+3/p-2