aluminum; 2-acetyloxybenzoate; 3-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: aluminum; 2-acetyloxybenzoate; 3-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: aluminum; 2-acetoxybenzoate; 3-(4-isobutylphenyl)propanoate CAS Name: aluminum; 2-acetyloxybenzoate; 3-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: aluminum; 2-acetyloxybenzoate; 3-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: aluminum; 2-acetoxybenzoate; 3-(4-isobutylphenyl)propionate Formula: C35H41AlO8 MolecularWeight: 616.676778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CCC(=O)[O-].CC(C)CC1=CC=C(C=C1)CCC(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CCC(=O)[O-].CC(C)CC1=CC=C(C=C1)CCC(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].[Al+3]

InChI

InChI=1S/2C13H18O2.C9H8O4.Al/c2*1-10(2)9-12-5-3-11(4-6-12)7-8-13(14)15;1-6(10)13-8-5-3-2-4-7(8)9(11)12;/h2*3-6,10H,7-9H2,1-2H3,(H,14,15);2-5H,1H3,(H,11,12);/q;;;+3/p-3