aluminum 2-(22-oxidanidyl-22-oxidanylidene-docosyl)-3-(20-oxidanidyl-20-oxidanylidene-icosyl)benzoate

Systemtic Name: aluminum 2-(22-oxidanidyl-22-oxidanylidene-docosyl)-3-(20-oxidanidyl-20-oxidanylidene-icosyl)benzoate Openeye Name: aluminum 2-(22-oxido-22-oxo-docosyl)-3-(20-oxido-20-oxo-icosyl)benzoate CAS Name: aluminum 2-(22-oxido-22-oxodocosyl)-3-(20-oxido-20-oxoeicosyl)benzoate IUPAC Name: aluminum 2-(22-oxido-22-oxodocosyl)-3-(20-oxido-20-oxoicosyl)benzoate Traditional Name: aluminum 2-(22-keto-22-oxido-docosyl)-3-(20-keto-20-oxido-eicosyl)benzoate Formula: C49H83AlO6 MolecularWeight: 795.161258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H86O6.Al/c50-47(51)42-35-31-27-23-19-15-11-7-3-1-2-6-10-14-18-22-26-30-34-40-45-44(39-37-41-46(45)49(54)55)38-33-29-25-21-17-13-9-5-4-8-12-16-20-24-28-32-36-43-48(52)53;/h37,39,41H,1-36,38,40,42-43H2,(H,50,51)(H,52,53)(H,54,55);/q;+3/p-3