aluminum 2-[4-(2-methylpropyl)phenyl]ethanoate

Systemtic Name: aluminum 2-[4-(2-methylpropyl)phenyl]ethanoate Openeye Name: aluminum 2-(4-isobutylphenyl)acetate CAS Name: aluminum 2-[4-(2-methylpropyl)phenyl]acetate IUPAC Name: aluminum 2-[4-(2-methylpropyl)phenyl]acetate Traditional Name: aluminum 2-(4-isobutylphenyl)acetate Formula: C36H45AlO6 MolecularWeight: 600.720438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CC(=O)[O-].CC(C)CC1=CC=C(C=C1)CC(=O)[O-].CC(C)CC1=CC=C(C=C1)CC(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CC(=O)[O-].CC(C)CC1=CC=C(C=C1)CC(=O)[O-].CC(C)CC1=CC=C(C=C1)CC(=O)[O-].[Al+3]

InChI

InChI=1S/3C12H16O2.Al/c3*1-9(2)7-10-3-5-11(6-4-10)8-12(13)14;/h3*3-6,9H,7-8H2,1-2H3,(H,13,14);/q;;;+3/p-3