aluminum 5-cyclohexyl-2-oxidanyl-3-(2-phenylpropan-2-yl)benzoate

Systemtic Name: aluminum 5-cyclohexyl-2-oxidanyl-3-(2-phenylpropan-2-yl)benzoate Openeye Name: aluminum 5-cyclohexyl-2-hydroxy-3-(1-methyl-1-phenyl-ethyl)benzoate CAS Name: aluminum 5-cyclohexyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzoate IUPAC Name: aluminum 5-cyclohexyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzoate Traditional Name: aluminum 3-cumyl-5-cyclohexyl-2-hydroxy-benzoate Formula: C66H75AlO9 MolecularWeight: 1039.277838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=C(C(=CC(=C2)C3CCCCC3)C(=O)[O-])O.CC(C)(C1=CC=CC=C1)C2=C(C(=CC(=C2)C3CCCCC3)C(=O)[O-])O.CC(C)(C1=CC=CC=C1)C2=C(C(=CC(=C2)C3CCCCC3)C(=O)[O-])O.[Al+3]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=C(C(=CC(=C2)C3CCCCC3)C(=O)[O-])O.CC(C)(C1=CC=CC=C1)C2=C(C(=CC(=C2)C3CCCCC3)C(=O)[O-])O.CC(C)(C1=CC=CC=C1)C2=C(C(=CC(=C2)C3CCCCC3)C(=O)[O-])O.[Al+3]

InChI

InChI=1S/3C22H26O3.Al/c3*1-22(2,17-11-7-4-8-12-17)19-14-16(15-9-5-3-6-10-15)13-18(20(19)23)21(24)25;/h3*4,7-8,11-15,23H,3,5-6,9-10H2,1-2H3,(H,24,25);/q;;;+3/p-3