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

Systemtic Name: aluminum 2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: aluminum 2-(4-isobutylphenyl)propanoate CAS Name: aluminum 2-[4-(2-methylpropyl)phenyl]propanoate IUPAC Name: aluminum 2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: aluminum 2-(4-isobutylphenyl)propionate Formula: C39H51AlO6 MolecularWeight: 642.800178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H18O2.Al/c3*1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h3*4-7,9-10H,8H2,1-3H3,(H,14,15);/q;;;+3/p-3