aluminum; 1,3-bis(2-methylpyridin-3-yl)propan-2-one; 2,6-ditert-butylphenolate

Systemtic Name: aluminum; 1,3-bis(2-methylpyridin-3-yl)propan-2-one; 2,6-ditert-butylphenolate Openeye Name: aluminum; 1,3-bis(2-methyl-3-pyridyl)propan-2-one; 2,6-ditert-butylphenolate CAS Name: aluminum; 1,3-bis(2-methyl-3-pyridinyl)-2-propanone; 2,6-ditert-butylphenolate IUPAC Name: aluminum; 1,3-bis(2-methylpyridin-3-yl)propan-2-one; 2,6-ditert-butylphenolate Traditional Name: aluminum; 1,3-bis(2-methyl-3-pyridyl)acetone; 2,6-ditert-butylphenolate Formula: C43H58AlN2O3+ MolecularWeight: 677.913758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=N1)CC(=O)CC2=C(N=CC=C2)C.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].[Al+3]

Isomeric SMILES

CC1=C(C=CC=N1)CC(=O)CC2=C(N=CC=C2)C.CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)[O-].[Al+3]

InChI

InChI=1S/C15H16N2O.2C14H22O.Al/c1-11-13(5-3-7-16-11)9-15(18)10-14-6-4-8-17-12(14)2;2*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;/h3-8H,9-10H2,1-2H3;2*7-9,15H,1-6H3;/q;;;+3/p-2