aluminum 2-[4-(2-methyl-2-oxidanyl-propyl)phenyl]propanoate

Systemtic Name: aluminum 2-[4-(2-methyl-2-oxidanyl-propyl)phenyl]propanoate Openeye Name: aluminum 2-[4-(2-hydroxy-2-methyl-propyl)phenyl]propanoate CAS Name: aluminum 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate IUPAC Name: aluminum 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate Traditional Name: aluminum 2-[4-(2-hydroxy-2-methyl-propyl)phenyl]propionate Formula: C39H51AlO9 MolecularWeight: 690.798378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C13H18O3.Al/c3*1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16;/h3*4-7,9,16H,8H2,1-3H3,(H,14,15);/q;;;+3/p-3