aluminum 2-oxidanyl-3,5-di(propan-2-yl)benzoate

Systemtic Name: aluminum 2-oxidanyl-3,5-di(propan-2-yl)benzoate Openeye Name: aluminum 2-hydroxy-3,5-diisopropyl-benzoate CAS Name: aluminum 2-hydroxy-3,5-di(propan-2-yl)benzoate IUPAC Name: aluminum 2-hydroxy-3,5-di(propan-2-yl)benzoate Traditional Name: aluminum 2-hydroxy-3,5-diisopropyl-benzoate Formula: C39H51AlO9 MolecularWeight: 690.798378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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