aluminum 4-(2-phenylpropan-2-yl)phenolate

Systemtic Name: aluminum 4-(2-phenylpropan-2-yl)phenolate Openeye Name: aluminum 4-(1-methyl-1-phenyl-ethyl)phenolate CAS Name: aluminum 4-(2-phenylpropan-2-yl)phenolate IUPAC Name: aluminum 4-(2-phenylpropan-2-yl)phenolate Traditional Name: aluminum 4-cumylphenolate Formula: C45H45AlO3 MolecularWeight: 660.818538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[O-].CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[O-].CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[O-].[Al+3]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[O-].CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[O-].CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)[O-].[Al+3]

InChI

InChI=1S/3C15H16O.Al/c3*1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13;/h3*3-11,16H,1-2H3;/q;;;+3/p-3