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

Systemtic Name: aluminum; 2-acetyloxybenzoate; 2-[4-(2-methylpropyl)phenyl]ethanoate Openeye Name: aluminum; 2-acetoxybenzoate; 2-(4-isobutylphenyl)acetate CAS Name: aluminum; 2-acetyloxybenzoate; 2-[4-(2-methylpropyl)phenyl]acetate IUPAC Name: aluminum; 2-acetyloxybenzoate; 2-[4-(2-methylpropyl)phenyl]acetate Traditional Name: aluminum; 2-acetoxybenzoate; 2-(4-isobutylphenyl)acetate Formula: C33H37AlO8 MolecularWeight: 588.623618

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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(=O)OC1=CC=CC=C1C(=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(=O)OC1=CC=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/2C12H16O2.C9H8O4.Al/c2*1-9(2)7-10-3-5-11(6-4-10)8-12(13)14;1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*3-6,9H,7-8H2,1-2H3,(H,13,14);2-5H,1H3,(H,11,12);/q;;;+3/p-3