dialuminum 2-(18-oxidanidyl-18-oxidanylidene-octadecyl)-3-oxidanyl-benzoate

Systemtic Name: dialuminum 2-(18-oxidanidyl-18-oxidanylidene-octadecyl)-3-oxidanyl-benzoate Openeye Name: dialuminum 3-hydroxy-2-(18-oxido-18-oxo-octadecyl)benzoate CAS Name: dialuminum 3-hydroxy-2-(18-oxido-18-oxooctadecyl)benzoate IUPAC Name: dialuminum 3-hydroxy-2-(18-oxido-18-oxooctadecyl)benzoate Traditional Name: dialuminum 3-hydroxy-2-(18-keto-18-oxido-octadecyl)benzoate Formula: C75H114Al2O15 MolecularWeight: 1309.661736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C25H40O5.2Al/c3*26-23-19-16-18-22(25(29)30)21(23)17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-20-24(27)28;;/h3*16,18-19,26H,1-15,17,20H2,(H,27,28)(H,29,30);;/q;;;2*+3/p-6