aluminum 3-propan-2-yl-2-propan-2-yloxy-benzoate

Systemtic Name: aluminum 3-propan-2-yl-2-propan-2-yloxy-benzoate Openeye Name: aluminum 2-isopropoxy-3-isopropyl-benzoate CAS Name: aluminum 3-propan-2-yl-2-propan-2-yloxybenzoate IUPAC Name: aluminum 3-propan-2-yl-2-propan-2-yloxybenzoate Traditional Name: aluminum 2-isopropoxy-3-isopropyl-benzoate Formula: C39H51AlO9 MolecularWeight: 690.798378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].[Al+3]

Isomeric SMILES

CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].CC(C)C1=CC=CC(=C1OC(C)C)C(=O)[O-].[Al+3]

InChI

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