aluminum 2,3-diethyl-4-phenyl-benzoate

Systemtic Name: aluminum 2,3-diethyl-4-phenyl-benzoate Openeye Name: aluminum 2,3-diethyl-4-phenyl-benzoate CAS Name: aluminum 2,3-diethyl-4-phenylbenzoate IUPAC Name: aluminum 2,3-diethyl-4-phenylbenzoate Traditional Name: aluminum 2,3-diethyl-4-phenyl-benzoate Formula: C51H51AlO6 MolecularWeight: 786.928578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1CC)C(=O)[O-])C2=CC=CC=C2.CCC1=C(C=CC(=C1CC)C(=O)[O-])C2=CC=CC=C2.CCC1=C(C=CC(=C1CC)C(=O)[O-])C2=CC=CC=C2.[Al+3]

Isomeric SMILES

CCC1=C(C=CC(=C1CC)C(=O)[O-])C2=CC=CC=C2.CCC1=C(C=CC(=C1CC)C(=O)[O-])C2=CC=CC=C2.CCC1=C(C=CC(=C1CC)C(=O)[O-])C2=CC=CC=C2.[Al+3]

InChI

InChI=1S/3C17H18O2.Al/c3*1-3-13-14(4-2)16(17(18)19)11-10-15(13)12-8-6-5-7-9-12;/h3*5-11H,3-4H2,1-2H3,(H,18,19);/q;;;+3/p-3